| Properties | Image |
MNX_ID | MNXM23057 |
 |
reference | lipidmapsM:LMFA01030391 |
formula | C20H32O2 |
global charge | 0 |
mol weight | 304.474 |
InChIKey | VXPSCCAXKVUSIT-KNBAIDPXSA-N |
InChI | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,16-17H,2-5,8,11,14-15,18-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,17-16- |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CC/C=C\CCC(=O)O |
MNX internals
InChI (mnx) | InChI=1/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,16-17H,2-5,8,11,14-15,18-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,17-16- |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][C:20](=[O:21])[OH:22] |
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