| Properties | Image |
|---|
| MNX_ID | MNXM1131902 |
 |
| reference | lipidmapsM:LMST01040274 |
| formula | C29H44O9 |
| global charge | 0 |
| mol weight | 536.662 |
| InChIKey | OCWFUZDLPYVGLK-XINHGEHYSA-N |
| InChI | InChI=1S/C29H44O9/c1-13(2)14-8-22(38-25(35)24(14)34)28(5,36)21-6-7-29(37)16-10-17(30)15-9-18(31)19(32)11-26(15,3)23(16)20(33)12-27(21,29)4/h10,15,18-25,31-37H,6-9,11-12H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+/m0/s1 |
| SMILES | CC(C)=C1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4[C@H](O)C[C@]23C)O[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H44O9/c1-13(2)14-8-22(38-25(35)24(14)34)28(5,36)21-6-7-29(37)16-10-17(30)15-9-18(31)19(32)11-26(15,3)23(16)20(33)12-27(21,29)4/h10,15,18-25,31-37H,6-9,11-12H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[C:14]1[CH2:8][C@H:22]([C@@:28]([CH3:5])([C@H:21]2[CH2:6][CH2:7][C@@:29]3([OH:37])[C:16]4=[CH:10][C:17](=[O:30])[C@@H:15]5[CH2:9][C@@H:18]([OH:31])[C@@H:19]([OH:32])[CH2:11][C@:26]5([CH3:3])[C@H:23]4[C@H:20]([OH:33])[CH2:12][C@:27]23[CH3:4])[OH:36])[O:38][C@H:25]([OH:35])[C@@H:24]1[OH:34] |
|