| Properties | Image |
MNX_ID | MNXM1364170 |
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reference | metacycM:CPD-13536 |
formula | C20H28O |
global charge | 0 |
mol weight | 284.443 |
InChIKey | NCYCYZXNIZJOKI-BOOMUCAASA-N |
InChI | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13- |
SMILES | CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C=O)C(C)(C)CCC1 |
MNX internals
InChI (mnx) | InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13- |
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SMILES (mnx) | [CH3:1][C:16](=[CH:8]/[CH:6]=[CH:9]/[C:17]([CH3:2])=[CH:13]\[CH:15]=[O:21])/[CH:11]=[CH:12]/[C:19]1=[C:18]([CH3:3])[CH2:10][CH2:7][CH2:14][C:20]1([CH3:4])[CH3:5] |
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