| Properties | Image |
|---|
| MNX_ID | MNXM31982 |
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| reference | lipidmapsM:LMFA03010190 |
| formula | C23H38O7 |
| global charge | 0 |
| mol weight | 426.55 |
| InChIKey | ITTYJJFCGKAYRE-OMVDPNNKSA-N |
| InChI | InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-16-18(26)15-24/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-,22+/m0/s1 |
| SMILES | CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCC(O)CO)[C@@H]2C[C@H]1OO2 |
MNX internals
| InChI (mnx) | InChI=1/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-16-18(26)15-24/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-,22+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:12]=[CH:13]/[C@@H:20]1[C@@H:19]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:23](=[O:27])[O:28][CH2:16][CH:18]([CH2:15][OH:24])[OH:26])[C@@H:21]2[CH2:14][C@H:22]1[O:30][O:29]2)[OH:25] |
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