| Properties | Image |
|---|
| MNX_ID | MNXM1131214 |
 |
| reference | lipidmapsM:LMPR0103540011 |
| formula | C33H50O9 |
| global charge | 0 |
| mol weight | 590.754 |
| InChIKey | DKZOQKYOEKTNQN-HXEOHGHCSA-N |
| InChI | InChI=1S/C33H50O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(34)39-20(4)21-18-32(42-29(21)36)27-28(41-27)33(38)24-23(19(2)3)25(40-30(24)37)26(35)31(32,33)5/h20-21,23-28,35,38H,2,6-18H2,1,3-5H3/t20-,21+,23-,24+,25+,26+,27+,28-,31-,32+,33-/m0/s1 |
| SMILES | C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(C[C@H]([C@H](C)OC(=O)CCCCCCCCCCCCC)C(=O)O3)[C@]1(C)[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C33H50O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(34)39-20(4)21-18-32(42-29(21)36)27-28(41-27)33(38)24-23(19(2)3)25(40-30(24)37)26(35)31(32,33)5/h20-21,23-28,35,38H,2,6-18H2,1,3-5H3/t20-,21+,23-,24+,25+,26+,27+,28-,31-,32+,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:22](=[O:34])[O:39][C@@H:20]([CH3:4])[C@H:21]1[CH2:18][C@:32]2([C@H:27]3[C@@H:28]([C@@:33]4([OH:38])[C@@H:24]5[C@H:23]([C:19](=[CH2:2])[CH3:3])[C@H:25]([C@@H:26]([OH:35])[C@@:31]24[CH3:5])[O:40][C:30]5=[O:37])[O:41]3)[O:42][C:29]1=[O:36] |
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