| Properties | Image |
|---|
| MNX_ID | MNXM105537 |
 |
| reference | chebi:69378 |
| formula | C32H38O18 |
| global charge | 0 |
| mol weight | 710.638 |
| InChIKey | WNEKTAXRNDLFBT-UOFFBVERSA-N |
| InChI | InChI=1S/C32H38O18/c1-10-19(36)23(40)25(42)30(45-10)47-14-7-15(34)18-17(8-14)48-27(12-3-5-13(33)6-4-12)28(22(18)39)49-32-29(21(38)16(35)9-44-32)50-31-26(43)24(41)20(37)11(2)46-31/h3-8,10-11,16,19-21,23-26,29-38,40-43H,9H2,1-2H3/t10-,11-,16-,19-,20-,21-,23+,24+,25+,26+,29+,30-,31-,32-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4OC[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(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H38O18/c1-10-19(36)23(40)25(42)30(45-10)47-14-7-15(34)18-17(8-14)48-27(12-3-5-13(33)6-4-12)28(22(18)39)49-32-29(21(38)16(35)9-44-32)50-31-26(43)24(41)20(37)11(2)46-31/h3-8,10-11,16,19-21,23-26,29-38,40-43H,9H2,1-2H3/t10-,11-,16-,19-,20-,21-,23+,24+,25+,26+,29+,30-,31-,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:19]([OH:36])[C@@H:23]([OH:40])[C@@H:25]([OH:42])[C@H:30]([O:47][C:14]2=[CH:7][C:15]([OH:34])=[C:18]3[C:17](=[CH:8]2)[O:48][C:27]([C:12]2=[CH:4][CH:6]=[C:13]([OH:33])[CH:5]=[CH:3]2)=[C:28]([O:49][C@H:32]2[C@H:29]([O:50][C@H:31]4[C@H:26]([OH:43])[C@H:24]([OH:41])[C@@H:20]([OH:37])[C@H:11]([CH3:2])[O:46]4)[C@@H:21]([OH:38])[C@@H:16]([OH:35])[CH2:9][O:44]2)[C:22]3=[O:39])[O:45]1 |
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