| Properties | Image |
|---|
| MNX_ID | MNXM42384 |
 |
| reference | lipidmapsM:LMPK12110394 |
| formula | C33H40O19 |
| global charge | 0 |
| mol weight | 740.664 |
| InChIKey | LXOPDILLGIDKLW-KDGNLIIISA-N |
| InChI | InChI=1S/C33H40O19/c1-11-22(38)25(41)29(45)32(47-11)52-30-27(43)24(40)20(10-46-31-28(44)26(42)23(39)19(9-34)50-31)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(35)5-3-12/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3/t11-,19+,20+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC3=CC4=C(C(=O)C=C(C5=CC=C(O)C=C5)O4)C(O)=C3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O19/c1-11-22(38)25(41)29(45)32(47-11)52-30-27(43)24(40)20(10-46-31-28(44)26(42)23(39)19(9-34)50-31)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(35)5-3-12/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3/t11-,19+,20+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:22]([OH:38])[C@@H:25]([OH:41])[C@@H:29]([OH:45])[C@H:32]([O:52][C@@H:30]2[C@@H:27]([OH:43])[C@H:24]([OH:40])[C@@H:20]([CH2:10][O:46][C@H:31]3[C@H:28]([OH:44])[C@@H:26]([OH:42])[C@H:23]([OH:39])[C@@H:19]([CH2:9][OH:34])[O:50]3)[O:51][C@H:33]2[O:48][C:14]2=[CH:6][C:15]([OH:36])=[C:21]3[C:16](=[O:37])[CH:8]=[C:17]([C:12]4=[CH:3][CH:5]=[C:13]([OH:35])[CH:4]=[CH:2]4)[O:49][C:18]3=[CH:7]2)[O:47]1 |
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