| Properties | Image |
|---|
| MNX_ID | MNXM25233 |
 |
| reference | lipidmapsM:LMPK12010084 |
| formula | C30H33O18 |
| global charge | 1 |
| mol weight | 681.576 |
| InChIKey | FWXROQWVMFXBGG-IEKHAQANSA-O |
| InChI | InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)44-13-5-15(33)14-7-17(28(45-16(14)6-13)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)[O+]=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)44-13-5-15(33)14-7-17(28(45-16(14)6-13)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:32])=[CH:4][CH:2]=[C:11]1[C:28]1=[O+:45][C:16]2=[CH:6][C:13]([O:44][C@H:29]3[C@H:26]([OH:41])[C@@H:24]([OH:39])[C@H:22]([OH:37])[C@@H:18]([CH2:9][OH:31])[O:47]3)=[CH:5][C:15]([OH:33])=[C:14]2[CH:7]=[C:17]1[O:46][C@H:30]1[C@H:27]([OH:42])[C@@H:25]([OH:40])[C@H:23]([OH:38])[C@@H:19]([CH2:10][O:43][C:21]([CH2:8][C:20](=[O:34])[O-:35])=[O:36])[O:48]1 |
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