| Properties | Image |
|---|
| MNX_ID | MNXM124279 |
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| reference | lipidmapsM:LMPK12010275 |
| formula | C32H39O21 |
| global charge | 1 |
| mol weight | 759.643 |
| InChIKey | SVKUZBZQDMYGEP-MXLAPUDVSA-O |
| InChI | InChI=1S/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1/t14-,18-,19-,21+,22-,23+,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=C(C3=CC(O)=C(O)C(O)=C3)[O+]=C3C=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/t14-,18-,19-,21+,22-,23+,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[C:9]([C:28]2=[O+:48][C:15]3=[C:11]([CH:5]=[C:17]2[O:50][C@H:32]2[C@H:29]([O:53][C@H:30]4[C@H:26]([OH:45])[C@@H:21]([OH:40])[C@H:14]([OH:38])[CH2:8][O:47]4)[C@@H:25]([OH:44])[C@@H:23]([OH:42])[C@@H:19]([CH2:7][OH:34])[O:52]2)[C:16]([O:49][C@H:31]2[C@H:27]([OH:46])[C@@H:24]([OH:43])[C@H:22]([OH:41])[C@@H:18]([CH2:6][OH:33])[O:51]2)=[CH:4][C:10]([OH:35])=[CH:3]3)[CH:2]=[C:13]([OH:37])[C:20]([O-:39])=[C:12]1[OH:36] |
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