| Properties | Image |
|---|
| MNX_ID | MNXM51092 |
 |
| reference | lipidmapsM:LMPK12110820 |
| formula | C34H42O19 |
| global charge | 0 |
| mol weight | 754.691 |
| InChIKey | NLOYJTQYMYDUFN-BYWVGFEBSA-N |
| InChI | InChI=1S/C34H42O19/c1-11-23(38)26(41)29(44)32(48-11)47-10-21-25(40)28(43)31(53-33-30(45)27(42)24(39)12(2)49-33)34(52-21)50-14-7-16(36)22-17(37)9-19(51-20(22)8-14)13-4-5-18(46-3)15(35)6-13/h4-9,11-12,21,23-36,38-45H,10H2,1-3H3/t11-,12-,21+,23-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1 |
| SMILES | COC1=C(O)C=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H42O19/c1-11-23(38)26(41)29(44)32(48-11)47-10-21-25(40)28(43)31(53-33-30(45)27(42)24(39)12(2)49-33)34(52-21)50-14-7-16(36)22-17(37)9-19(51-20(22)8-14)13-4-5-18(46-3)15(35)6-13/h4-9,11-12,21,23-36,38-45H,10H2,1-3H3/t11-,12-,21+,23-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:23]([OH:38])[C@@H:26]([OH:41])[C@@H:29]([OH:44])[C@H:32]([O:47][CH2:10][C@@H:21]2[C@@H:25]([OH:40])[C@H:28]([OH:43])[C@@H:31]([O:53][C@H:33]3[C@H:30]([OH:45])[C@H:27]([OH:42])[C@@H:24]([OH:39])[C@H:12]([CH3:2])[O:49]3)[C@H:34]([O:50][C:14]3=[CH:7][C:16]([OH:36])=[C:22]4[C:17](=[O:37])[CH:9]=[C:19]([C:13]5=[CH:6][C:15]([OH:35])=[C:18]([O:46][CH3:3])[CH:5]=[CH:4]5)[O:51][C:20]4=[CH:8]3)[O:52]2)[O:48]1 |
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