| Properties | Image |
|---|
| MNX_ID | MNXM1131212 |
 |
| reference | lipidmapsM:LMPR0103540009 |
| formula | C29H42O9 |
| global charge | 0 |
| mol weight | 534.646 |
| InChIKey | XXQCVDALCBCQSX-AYVQBJSUSA-N |
| InChI | InChI=1S/C29H42O9/c1-6-7-8-9-10-11-12-13-18(30)35-16(4)17-14-28(38-25(17)32)23-24(37-23)29(34)20-19(15(2)3)21(36-26(20)33)22(31)27(28,29)5/h16-17,19-24,31,34H,2,6-14H2,1,3-5H3/t16-,17+,19-,20+,21+,22+,23+,24-,27-,28+,29-/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)CCCCCCCCC)C(=O)O3)[C@]1(C)[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O9/c1-6-7-8-9-10-11-12-13-18(30)35-16(4)17-14-28(38-25(17)32)23-24(37-23)29(34)20-19(15(2)3)21(36-26(20)33)22(31)27(28,29)5/h16-17,19-24,31,34H,2,6-14H2,1,3-5H3/t16-,17+,19-,20+,21+,22+,23+,24-,27-,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:18](=[O:30])[O:35][C@@H:16]([CH3:4])[C@H:17]1[CH2:14][C@:28]2([C@H:23]3[C@@H:24]([C@@:29]4([OH:34])[C@@H:20]5[C@H:19]([C:15](=[CH2:2])[CH3:3])[C@H:21]([C@@H:22]([OH:31])[C@@:27]24[CH3:5])[O:36][C:26]5=[O:33])[O:37]3)[O:38][C:25]1=[O:32] |
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