| Properties | Image |
MNX_ID | MNXM33221 |
 |
reference | lipidmapsM:LMPR01090042 |
formula | C20H26O |
global charge | 0 |
mol weight | 282.427 |
InChIKey | JZVQPHGYTPIYGJ-XMTSQJESSA-N |
InChI | InChI=1S/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-19-17(3)9-6-11-20(19,4)14-18/h5,7-8,10,12-13H,6,9,11,14H2,1-4H3/b7-5-,15-10+,16-8+ |
SMILES | CC1=C2C=C(/C(C)=C/C=C\C(C)=C\C=O)CC2(C)CCC1 |
MNX internals
InChI (mnx) | InChI=1/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-19-17(3)9-6-11-20(19,4)14-18/h5,7-8,10,12-13H,6,9,11,14H2,1-4H3/b7-5-,15-10+,16-8+/t20? |
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SMILES (mnx) | [CH3:1][C:15](/[CH:7]=[CH:5]\[CH:8]=[C:16](/[CH3:2])[C:18]1=[CH:13][C:19]2=[C:17]([CH3:3])[CH2:9][CH2:6][CH2:11][C:20]2([CH3:4])[CH2:14]1)=[CH:10]\[CH:12]=[O:21] |
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