| Properties | Image |
MNX_ID | MNXM26289 |
 |
reference | lipidmapsM:LMFA03060068 |
formula | C20H30O3 |
global charge | 0 |
mol weight | 318.457 |
InChIKey | SFIBXKABWRNYKQ-IITLTHAWSA-N |
InChI | InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13- |
SMILES | CCCCC/C=C\C=C/C(=O)C/C=C\C/C=C/CCCC(=O)O |
MNX internals
InChI (mnx) | InChI=1/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13- |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:7]=[CH:10]\[CH:13]=[CH:16]/[C:19]([CH2:17]/[CH:14]=[CH:11]\[CH2:8]/[CH:6]=[CH:9]/[CH2:12][CH2:15][CH2:18][C:20](=[O:22])[OH:23])=[O:21] |
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