| Properties | Image |
|---|
| MNX_ID | MNXM1131813 |
 |
| reference | lipidmapsM:LMST01010427 |
| formula | C29H44O9 |
| global charge | 0 |
| mol weight | 536.662 |
| InChIKey | GYHHEOJCLAGQCK-HNWGTDKPSA-N |
| InChI | InChI=1S/C29H44O9/c1-13-15(14(2)38-25(13)35)8-23(34)28(5,36)22-6-7-29(37)17-10-18(30)16-9-19(31)20(32)11-26(16,3)24(17)21(33)12-27(22,29)4/h10,13-16,19-24,31-34,36-37H,6-9,11-12H2,1-5H3/t13-,14+,15-,16-,19+,20-,21+,22-,23+,24+,26-,27+,28+,29+/m0/s1 |
| SMILES | C[C@@H]1C(=O)O[C@H](C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C29H44O9/c1-13-15(14(2)38-25(13)35)8-23(34)28(5,36)22-6-7-29(37)17-10-18(30)16-9-19(31)20(32)11-26(16,3)24(17)21(33)12-27(22,29)4/h10,13-16,19-24,31-34,36-37H,6-9,11-12H2,1-5H3/t13-,14+,15-,16-,19+,20-,21+,22-,23+,24+,26-,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:13]1[C@H:15]([CH2:8][C@H:23]([C@@:28]([CH3:5])([C@H:22]2[CH2:6][CH2:7][C@@:29]3([OH:37])[C:17]4=[CH:10][C:18](=[O:30])[C@@H:16]5[CH2:9][C@@H:19]([OH:31])[C@@H:20]([OH:32])[CH2:11][C@:26]5([CH3:3])[C@H:24]4[C@H:21]([OH:33])[CH2:12][C@:27]23[CH3:4])[OH:36])[OH:34])[C@@H:14]([CH3:2])[O:38][C:25]1=[O:35] |
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