Molecule Summary:

ID: FYI-1000950
SMILES: CCCCCc3cc(O)c2C1C=C(C)CCC1C(C)(C)Oc2c3

Received at FYIcenter.com on: 2021-07-28

Molecule Structure Displayed in 2D:

Molecule Structure SDF File:

FYI-1000950
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    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  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 23  6  1  0  0  0  0
M  END
$$$$

Molecule Structure SVG File:

<?xml version="1.0" standalone="no"?><!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd"><svg width="100%" height="100%" version="1.1" xmlns="http://www.w3.org/2000/svg"><g id='0' transform='scale(1) translate(0,0) scale(1)'><line x1="492.86953392118" x2="515.40976696059" y1="377.61018985064" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="515.40976696059" x2="537.95" y1="390.62418121288" y2="403.63817257513" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="447.78534955911" x2="470.32744174015" y1="403.63817257513" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="470.32744174015" x2="492.86953392118" y1="390.62418121288" y2="377.61018985064" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="402.7048834803" x2="425.2451165197" y1="377.61018985064" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="425.2451165197" x2="447.78534955911" y1="390.62418121288" y2="403.63817257513" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="357.62069911823" x2="380.16279129926" y1="403.63817257513" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="380.16279129926" x2="402.7048834803" y1="390.62418121288" y2="377.61018985064" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="312.54023303941" x2="335.08046607882" y1="377.61018985064" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="335.08046607882" x2="357.62069911823" y1="390.62418121288" y2="403.63817257513" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="269" x2="291.5" y1="407" y2="393.5" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="291.5" x2="314" y1="393.5" y2="380" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="267" x2="289.5" y1="402" y2="389" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="289.5" x2="312" y1="389" y2="376" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="222.37558259852" x2="244.91767477956" y1="377.61018985064" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="244.91767477956" x2="267.45976696059" y1="390.62418121288" y2="403.63817257513" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="177.2951165197" x2="199.83534955911" y1="403.63817257513" y2="390.62418121288" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #ff0000" />
<line x1="199.83534955911" x2="222.37558259852" y1="390.62418121288" y2="377.61018985064" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="220" x2="220" y1="326" y2="352" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="220" x2="220" y1="352" y2="378" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="226" x2="226" y1="326" y2="352" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="226" x2="226" y1="352" y2="378" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="177.2951165197" x2="199.83534955911" y1="299.52624167716" y2="312.54023303941" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="199.83534955911" x2="222.37558259852" y1="312.54023303941" y2="325.55422440166" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="132.21093215764" x2="154.75302433867" y1="325.55422440166" y2="312.54023303941" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="154.75302433867" x2="177.2951165197" y1="312.54023303941" y2="299.52624167716" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="86" x2="108.5" y1="302" y2="315" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="108.5" x2="131" y1="315" y2="328" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="89" x2="111.5" y1="298" y2="311" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="111.5" x2="134" y1="311" y2="324" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="42.05" x2="64.59023303941" y1="325.55422440166" y2="312.54023303941" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="64.59023303941" x2="87.130466078819" y1="312.54023303941" y2="299.52624167716" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="87.130466078819" x2="87.130466078819" y1="247.47027622818" y2="273.49825895267" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="87.130466078819" x2="87.130466078819" y1="273.49825895267" y2="299.52624167716" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="132.21093215764" x2="109.67069911823" y1="221.44229350369" y2="234.45628486593" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="109.67069911823" x2="87.130466078819" y1="234.45628486593" y2="247.47027622818" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="177.2951165197" x2="154.75302433867" y1="247.47027622818" y2="234.45628486593" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="154.75302433867" x2="132.21093215764" y1="234.45628486593" y2="221.44229350369" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="177.2951165197" x2="177.2951165197" y1="247.47027622818" y2="273.49825895267" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="177.2951165197" x2="177.2951165197" y1="273.49825895267" y2="299.52624167716" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="222.37558259852" x2="199.83534955911" y1="221.44229350369" y2="234.45628486593" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="199.83534955911" x2="177.2951165197" y1="234.45628486593" y2="247.47027622818" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="196.34759987403" x2="209.36159123628" y1="176.36182742487" y2="198.90206046428" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="209.36159123628" x2="222.37558259852" y1="198.90206046428" y2="221.44229350369" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="248.40356532302" x2="235.38957396077" y1="176.36182742487" y2="198.90206046428" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="235.38957396077" x2="222.37558259852" y1="198.90206046428" y2="221.44229350369" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="267.45976696059" x2="244.91767477956" y1="247.47027622818" y2="234.45628486593" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #ff0000" />
<line x1="244.91767477956" x2="222.37558259852" y1="234.45628486593" y2="221.44229350369" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="267.45976696059" x2="267.45976696059" y1="299.52624167716" y2="273.49825895267" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="267.45976696059" x2="267.45976696059" y1="273.49825895267" y2="247.47027622818" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #ff0000" />
<line x1="267.45976696059" x2="244.91767477956" y1="299.52624167716" y2="312.54023303941" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="244.91767477956" x2="222.37558259852" y1="312.54023303941" y2="325.55422440166" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="314" x2="291.5" y1="324" y2="311" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="291.5" x2="269" y1="311" y2="298" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="312" x2="289.5" y1="328" y2="315" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="289.5" x2="267" y1="315" y2="302" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="312.54023303941" x2="312.54023303941" y1="325.55422440166" y2="351.58220712615" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<line x1="312.54023303941" x2="312.54023303941" y1="351.58220712615" y2="377.61018985064" style="stroke-opacity:1; stroke-width: 2.1918276484451; stroke: #000000" />
<ellipse cx="177.2951165197" cy="403.63817257513" rx="14.246879714893" ry="14.246879714893" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="177.2951165197" y="415.69322464158"  fill="#ff0000" style="text-anchor:middle;  font-family:sans-serif;font-size:27.397845605564px">O</text>
<ellipse cx="267.45976696059" cy="247.47027622818" rx="14.246879714893" ry="14.246879714893" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="267.45976696059" y="259.52532829463"  fill="#ff0000" style="text-anchor:middle;  font-family:sans-serif;font-size:27.397845605564px">O</text>
</g></svg>