Molecule FYI-1004400

A

Molecule Summary:

ID: FYI-1004400
Names:
InChIKey: KXBBMPIYFWYLLN-LZIFFBGHSA-N
SMILES: CC[C@H]4CN3CC[C@]2(O)C(=Nc1cccc(OC)c12)[C@H]3CC4[C@H](CO[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)C(=O)OC

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004400 Edit

Molecule Structure InChIKey: KXBBMPIYFWYLLN-LZIFFBGHSA-N

Molecule Structure SMILES String: CC[C@H]4CN3CC[C@]2(O)C(=Nc1cccc(OC)c12)[C@H]3CC4[C@H](CO[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004400
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085   11.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    7.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089    9.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783   10.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3555   11.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402   12.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7478   12.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  1  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
  9 11  1  6  0  0  0
 10 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 30 12  1  1  0  0  0
 14 16  1  1  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  6  0  0  0
 12 15  1  0  0  0  0
 22 19  1  0  0  0  0
 22  9  1  0  0  0  0
 15 21  1  0  0  0  0
 22 24  1  1  0  0  0
 25  5  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
 21 31  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 38  2  0  0  0  0
 41 34  1  0  0  0  0
 31 41  1  0  0  0  0
 31 32  1  0  0  0  0
 31 23  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004400-3D
FYIcenter.com

        <meta http-equiv="Content-Type" content="text/html; charset=UTF-8"/>
        <link rel="stylesheet" href="./SP_down/nwds.2b297fc25828.css"/>
        <link rel="stylesheet" href="./SP_down/uswds.053a2e840adc.css"/>
        <link rel="stylesheet" href="./SP_down/header.0a45ab6073a4.css"/>
        <link rel="stylesheet" href="./SP_down/footer.dce7b046ef03.css"/>
        <title>NCBI | NLM | NIH</title>
       	<style type="text/css">
			body {
				display: flex; 
				flex-direction: column;
				height: 100%;
			}
			header {
				flex-shrink: 0;
			}
			main {
				flex-grow: 1;
				flex-shrink: 0;
			}
		</style>
    </head>
    <body>
        <div class="usa-overlay"></div>
        <header class="ncbi-header" role="banner" data-section="Header">
        <div class="usa-grid">
            <div class="usa-width-one-whole">
                
                <div class="ncbi-header__logo">
                    <a href="https://www.ncbi.nlm.nih.gov/" class="logo" aria-label="NCBI Logo">
                        <img src="https://www.ncbi.nlm.nih.gov/coreutils/nwds/img/logos/AgencyLogo.svg" alt="NIH NLM Logo"/>
                    </a>
                </div>
            </div>
        </div>
    </header>
    <main id="main_content">
     <section class="usa-section usa-grid">
        <h3><strong>Maintenance in progress</strong></h3>
        <p>
The page you are trying to reach is currently unavailable due to planned
maintenance. Most services will be unavailable for 24+ hours starting 9 PM EDT
on Friday, July 25, 2025.<br><br>
For more information, please visit
<a href="https://ncbiinsights.ncbi.nlm.nih.gov/2025/07/08/ncbi-website-maintenance-july-26th/">
NCBI Insights</a>
        </p>
     </section>
    </main>
    <footer>
       <section class="icon-selection">
          <div id="icon-section-header" class="icon-section_header">Follow NCBI</div>
            <div class="grid-container container">
              <div class="icon-section_container">
                <a class="footer-icon" id="footer_twitter" href="https://twitter.com/ncbi" aria-label="Twitter">
                    <svg width="40" height="40" viewBox="0 0 40 37" fill="none" xmlns="http://www.w3.org/2000/svg">
                        <title>Twitter</title>
                        <g id="twitterx1008">
                        <path id="path1008" d="M6.06736 7L16.8778 20.8991L6.00001 32.2H10.2L18.6 23.1L25.668 32.2H34L22.8 17.5L31.9 7H28.4L20.7 15.4L14.401 7H6.06898H6.06736ZM9.66753 8.73423H12.9327L29.7327 30.4658H26.5697L9.66753 8.73423Z" fill="#5B616B"></path> </g>
                    </svg>
                </a>
                <a class="footer-icon" id="footer_facebook" href="https://www.facebook.com/ncbi.nlm" aria-label="Facebook"><svg data-name="Layer 1" xmlns="http://www.w3.org/2000/svg" viewBox="0 0 300 300">
                    <title>Facebook</title>
                    <path class="cls-11" d="M210.5,115.12H171.74V97.82c0-8.14,5.39-10,9.19-10h27.14V52l-39.32-.12c-35.66,0-42.42,26.68-42.42,43.77v19.48H99.09v36.32h27.24v109h45.41v-109h35Z">
                    </path>
                  </svg></a>
                <a class="footer-icon" id="footer_linkedin" href="https://www.linkedin.com/company/ncbinlm" aria-label="LinkedIn"><svg data-name="Layer 1" xmlns="http://www.w3.org/2000/svg" viewBox="0 0 300 300">
                    <title>LinkedIn</title>
                    <path class="cls-11" d="M101.64,243.37H57.79v-114h43.85Zm-22-131.54h-.26c-13.25,0-21.82-10.36-21.82-21.76,0-11.65,8.84-21.15,22.33-21.15S101.7,78.72,102,90.38C102,101.77,93.4,111.83,79.63,111.83Zm100.93,52.61A17.54,17.54,0,0,0,163,182v61.39H119.18s.51-105.23,0-114H163v13a54.33,54.33,0,0,1,34.54-12.66c26,0,44.39,18.8,44.39,55.29v58.35H198.1V182A17.54,17.54,0,0,0,180.56,164.44Z">
                    </path>
                  </svg></a>
                <a class="footer-icon" id="footer_github" href="https://github.com/ncbi" aria-label="GitHub"><svg data-name="Layer 1" xmlns="http://www.w3.org/2000/svg" viewBox="0 0 300 300">
                    <defs>
                      <style>
                        .cls-11,
                        .cls-12 {
                          fill: #737373;
                        }

                        .cls-11 {
                          fill-rule: evenodd;
                        }
                      </style>
                    </defs>
                    <title>GitHub</title>
                    <path class="cls-11" d="M151.36,47.28a105.76,105.76,0,0,0-33.43,206.1c5.28,1,7.22-2.3,7.22-5.09,0-2.52-.09-10.85-.14-19.69-29.42,6.4-35.63-12.48-35.63-12.48-4.81-12.22-11.74-15.47-11.74-15.47-9.59-6.56.73-6.43.73-6.43,10.61.75,16.21,10.9,16.21,10.9,9.43,16.17,24.73,11.49,30.77,8.79,1-6.83,3.69-11.5,6.71-14.14C108.57,197.1,83.88,188,83.88,147.51a40.92,40.92,0,0,1,10.9-28.39c-1.1-2.66-4.72-13.42,1-28,0,0,8.88-2.84,29.09,10.84a100.26,100.26,0,0,1,53,0C198,88.3,206.9,91.14,206.9,91.14c5.76,14.56,2.14,25.32,1,28a40.87,40.87,0,0,1,10.89,28.39c0,40.62-24.74,49.56-48.29,52.18,3.79,3.28,7.17,9.71,7.17,19.58,0,14.15-.12,25.54-.12,29,0,2.82,1.9,6.11,7.26,5.07A105.76,105.76,0,0,0,151.36,47.28Z">
                    </path>
                    <path class="cls-12" d="M85.66,199.12c-.23.52-1.06.68-1.81.32s-1.2-1.06-.95-1.59,1.06-.69,1.82-.33,1.21,1.07.94,1.6Zm-1.3-1">
                    </path>
                    <path class="cls-12" d="M90,203.89c-.51.47-1.49.25-2.16-.49a1.61,1.61,0,0,1-.31-2.19c.52-.47,1.47-.25,2.17.49s.82,1.72.3,2.19Zm-1-1.08">
                    </path>
                    <path class="cls-12" d="M94.12,210c-.65.46-1.71,0-2.37-.91s-.64-2.07,0-2.52,1.7,0,2.36.89.65,2.08,0,2.54Zm0,0"></path>
                    <path class="cls-12" d="M99.83,215.87c-.58.64-1.82.47-2.72-.41s-1.18-2.06-.6-2.7,1.83-.46,2.74.41,1.2,2.07.58,2.7Zm0,0">
                    </path>
                    <path class="cls-12" d="M107.71,219.29c-.26.82-1.45,1.2-2.64.85s-2-1.34-1.74-2.17,1.44-1.23,2.65-.85,2,1.32,1.73,2.17Zm0,0">
                    </path>
                    <path class="cls-12" d="M116.36,219.92c0,.87-1,1.59-2.24,1.61s-2.29-.68-2.3-1.54,1-1.59,2.26-1.61,2.28.67,2.28,1.54Zm0,0">
                    </path>
                    <path class="cls-12" d="M124.42,218.55c.15.85-.73,1.72-2,1.95s-2.37-.3-2.52-1.14.73-1.75,2-2,2.37.29,2.53,1.16Zm0,0"></path>
                  </svg></a>
                <a class="footer-icon" id="footer_blog" href="https://ncbiinsights.ncbi.nlm.nih.gov/" aria-label="Blog">
                  <svg id="Layer_1" data-name="Layer 1" xmlns="http://www.w3.org/2000/svg" viewBox="0 0 40 40"><defs><style>.cls-1{fill:#737373;}</style></defs><path class="cls-1" d="M14,30a4,4,0,1,1-4-4,4,4,0,0,1,4,4Zm11,3A19,19,0,0,0,7.05,15a1,1,0,0,0-1,1v3a1,1,0,0,0,.93,1A14,14,0,0,1,20,33.07,1,1,0,0,0,21,34h3a1,1,0,0,0,1-1Zm9,0A28,28,0,0,0,7,6,1,1,0,0,0,6,7v3a1,1,0,0,0,1,1A23,23,0,0,1,29,33a1,1,0,0,0,1,1h3A1,1,0,0,0,34,33Z"></path></svg>
                </a>
              </div>
            </div>
        </section>
      <section class="container-fluid bg-primary">
        <div class="container pt-5">
          <div class="row mt-3">
            <div class="col-lg-3 col-12">
              <p><a class="text-white" href="https://www.nlm.nih.gov/socialmedia/index.html">Follow NLM</a></p>
              <ul class="list-inline social_media">
                  <li class="list-inline-item">
                      <a href="https://twitter.com/NLM_NIH" aria-label="Twitter" target="_blank" rel="noopener noreferrer">
                          <svg width="35" height="35" viewBox="0 0 38 35" fill="none" xmlns="http://www.w3.org/2000/svg">
                              <title>Twitter</title>
                              <g id="twitterx1009" clip-path="url(#clip0_65276_3946)">
                                 <path id="Vector" d="M17.5006 34.6565C26.9761 34.6565 34.6575 26.9751 34.6575 17.4996C34.6575 8.02416 26.9761 0.342773 17.5006 0.342773C8.02514 0.342773 0.34375 8.02416 0.34375 17.4996C0.34375 26.9751 8.02514 34.6565 17.5006 34.6565Z" fill="#205493" stroke="white" stroke-width="1.2" stroke-miterlimit="10"></path>
                                 <path id="path1009" d="M8.54811 8.5L16.2698 18.4279L8.50001 26.5H11.5L17.5 20L22.5486 26.5H28.5L20.5 16L27 8.5H24.5L19 14.5L14.5007 8.5H8.54927H8.54811ZM11.1197 9.73873H13.4519L25.4519 25.2613H23.1926L11.1197 9.73873Z" fill="white"></path>
                              </g>
                              <defs>
                              <clipPath id="clip0_65276_3946"> <rect width="38" height="38" fill="white"></rect> </clipPath>
                              </defs>
                          </svg>
                      </a>
                  </li>
                <li class="list-inline-item"><a href="https://www.facebook.com/nationallibraryofmedicine" aria-label="Facebook" rel="noopener noreferrer" target="_blank">
                  <svg version="1.1" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" x="0px" y="0px" viewBox="0 0 249 249" style="enable-background:new 0 0 249 249;" xml:space="preserve">
                      <style type="text/css">
                        .st10 {
                          fill: #FFFFFF;
                        }

                        .st110 {
                          fill: none;
                          stroke: #FFFFFF;
                          stroke-width: 8;
                          stroke-miterlimit: 10;
                        }
                      </style>
                      <title>SM-Facebook</title>
                      <g>
                        <g>
                          <path class="st10" d="M159,99.1h-24V88.4c0-5,3.3-6.2,5.7-6.2h16.8V60l-24.4-0.1c-22.1,0-26.2,16.5-26.2,27.1v12.1H90v22.5h16.9
                                                      v67.5H135v-67.5h21.7L159,99.1z"></path>
                        </g>
                      </g>
                      <circle class="st110" cx="123.6" cy="123.2" r="108.2"></circle>
                    </svg>
                </a>
                </li>
                <li class="list-inline-item"><a href="https://www.youtube.com/user/NLMNIH" aria-label="Youtube" target="_blank" rel="noopener noreferrer"><svg version="1.1" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" x="0px" y="0px" viewBox="0 0 249 249" style="enable-background:new 0 0 249 249;" xml:space="preserve">
                      <title>SM-Youtube</title>
                      <style type="text/css">
                        .st4 {
                          fill: none;
                          stroke: #FFFFFF;
                          stroke-width: 8;
                          stroke-miterlimit: 10;
                        }

                        .st5 {
                          fill: #FFFFFF;
                        }
                      </style>
                      <circle class="st4" cx="124.2" cy="123.4" r="108.2"></circle>
                      <g transform="translate(0,-952.36218)">
                        <path class="st5" d="M88.4,1037.4c-10.4,0-18.7,8.3-18.7,18.7v40.1c0,10.4,8.3,18.7,18.7,18.7h72.1c10.4,0,18.7-8.3,18.7-18.7
                                            v-40.1c0-10.4-8.3-18.7-18.7-18.7H88.4z M115.2,1058.8l29.4,17.4l-29.4,17.4V1058.8z"></path>
                      </g>
                    </svg></a></li>
              </ul>
            </div>
            <div class="col-lg-3 col-12">
              <p class="address_footer text-white">National Library of Medicine<br>
                <a href="https://www.google.com/maps/place/8600+Rockville+Pike,+Bethesda,+MD+20894/@38.9959508,-77.101021,17z/data=!3m1!4b1!4m5!3m4!1s0x89b7c95e25765ddb:0x19156f88b27635b8!8m2!3d38.9959508!4d-77.0988323" class="text-white" target="_blank" rel="noopener noreferrer">8600 Rockville Pike<br>
                  Bethesda, MD 20894</a></p>
            </div>
            <div class="col-lg-3 col-12 centered-lg">
              <p><a href="https://www.nlm.nih.gov/web_policies.html" class="text-white">Web Policies</a><br>
                <a href="https://www.nih.gov/institutes-nih/nih-office-director/office-communications-public-liaison/freedom-information-act-office" class="text-white">FOIA</a><br>
                <a href="https://www.hhs.gov/vulnerability-disclosure-policy/index.html" class="text-white" id="vdp">HHS Vulnerability Disclosure</a></p>
            </div>
            <div class="col-lg-3 col-12 centered-lg">
              <p><a class="supportLink text-white" href="https://support.nlm.nih.gov/">Help</a><br>
                <a href="https://www.nlm.nih.gov/accessibility.html" class="text-white">Accessibility</a><br>
                <a href="https://www.nlm.nih.gov/careers/careers.html" class="text-white">Careers</a></p>
            </div>
          </div>
          <div class="row">
            <div class="col-lg-12 centered-lg">
              <nav class="bottom-links">
                <ul class="mt-3">
                  <li>
                    <a class="text-white" href="https://www.nlm.nih.gov/">NLM</a>
                  </li>
                  <li>
                    <a class="text-white" href="https://www.nih.gov/">NIH</a>
                  </li>
                  <li>
                    <a class="text-white" href="https://www.hhs.gov/">HHS</a>
                  </li>
                  <li>
                    <a class="text-white" href="https://www.usa.gov/">USA.gov</a>
                  </li>
                </ul>
              </nav>
            </div>
          </div>
        </div>
      </section>
    </footer>
    </body>
</html>
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1628👍, 0💬