| Properties | Image |
|---|
| MNX_ID | MNXM1131264 |
 |
| reference | lipidmapsM:LMPR0104130007 |
| formula | C30H46O10 |
| global charge | 0 |
| mol weight | 566.688 |
| InChIKey | OXDRSZXSSZKWID-SACHIDGESA-N |
| InChI | InChI=1S/C30H46O10/c1-14(2)9-22(31)38-13-20-23(32)24(33)25(34)28(40-20)39-17-10-18(27(36)37)19-7-8-30-11-16(15(3)26(30)35)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,32-35H,3,5-13H2,1-2,4H3,(H,36,37)/t16-,17+,18+,19+,20+,21-,23+,24-,25+,26-,28+,29+,30+/m0/s1 |
| SMILES | C=C1[C@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](COC(=O)CC(C)C)[C@@H](O)[C@H](O)[C@H]5O)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H46O10/c1-14(2)9-22(31)38-13-20-23(32)24(33)25(34)28(40-20)39-17-10-18(27(36)37)19-7-8-30-11-16(15(3)26(30)35)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,32-35H,3,5-13H2,1-2,4H3,(H,36,37)/t16-,17+,18+,19+,20+,21-,23+,24-,25+,26-,28+,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:9][C:22](=[O:31])[O:38][CH2:13][C@@H:20]1[C@@H:23]([OH:32])[C@H:24]([OH:33])[C@@H:25]([OH:34])[C@H:28]([O:39][C@@H:17]2[CH2:10][C@@H:18]([C:27](=[O:36])[OH:37])[C@H:19]3[CH2:7][CH2:8][C@@:30]45[CH2:11][C@H:16]([CH2:5][CH2:6][C@H:21]4[C@:29]3([CH3:4])[CH2:12]2)[C:15](=[CH2:3])[C@@H:26]5[OH:35])[O:40]1 |
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