| Properties | Image |
|---|
| MNX_ID | MNXM1368956 |
 |
| reference | keggC:C20492 |
| formula | C32H39O19 |
| global charge | 1 |
| mol weight | 727.645 |
| InChIKey | NNEATHLRLZWIRN-MRBLLYQQSA-O |
| InChI | InChI=1S/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C4=CC=C(O)C=C4)=[O+]C3=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:35])=[CH:4][CH:2]=[C:11]1[C:28]1=[O+:46][C:16]2=[C:14]([CH:7]=[C:18]1[O:48][C@H:32]1[C@H:29]([O:51][C@H:30]3[C@H:26]([OH:43])[C@@H:21]([OH:38])[C@H:15]([OH:37])[CH2:10][O:45]3)[C@@H:25]([OH:42])[C@H:23]([OH:40])[C@@H:20]([CH2:9][OH:34])[O:50]1)[C:17]([O:47][C@H:31]1[C@H:27]([OH:44])[C@@H:24]([OH:41])[C@H:22]([OH:39])[C@@H:19]([CH2:8][OH:33])[O:49]1)=[CH:6][C:13]([O-:36])=[CH:5]2 |
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