| Properties | Image |
|---|
| MNX_ID | MNXM18776 |
 |
| reference | metacycM:CPD-10348 |
| formula | C33H40O19 |
| global charge | 0 |
| mol weight | 740.664 |
| InChIKey | VSBVKAXEWZFVPV-DNACGYFNSA-N |
| InChI | InChI=1S/C33H40O19/c1-10-21(38)25(42)28(45)32(47-10)52-31-27(44)23(40)17(8-34)49-30(31)20-16(50-33-29(46)26(43)22(39)18(9-35)51-33)7-15-19(24(20)41)13(37)6-14(48-15)11-2-4-12(36)5-3-11/h2-7,10,17-18,21-23,25-36,38-46H,8-9H2,1H3/t10-,17+,18+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31+,32+,33+/m0/s1 |
| SMILES | C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C3=C(C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC(C2=CC=C(O)C=C2)=CC3=O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O19/c1-10-21(38)25(42)28(45)32(47-10)52-31-27(44)23(40)17(8-34)49-30(31)20-16(50-33-29(46)26(43)22(39)18(9-35)51-33)7-15-19(24(20)41)13(37)6-14(48-15)11-2-4-12(36)5-3-11/h2-7,10,17-18,21-23,25-36,38-46H,8-9H2,1H3/t10-,17+,18+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31+,32+,33+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:21]([OH:38])[C@@H:25]([OH:42])[C@@H:28]([OH:45])[C@@H:32]([O:52][C@@H:31]2[C@@H:27]([OH:44])[C@H:23]([OH:40])[C@@H:17]([CH2:8][OH:34])[O:49][C@H:30]2[C:20]2=[C:24]([OH:41])[C:19]3=[C:15]([CH:7]=[C:16]2[O:50][C@H:33]2[C@H:29]([OH:46])[C@@H:26]([OH:43])[C@H:22]([OH:39])[C@@H:18]([CH2:9][OH:35])[O:51]2)[O:48][C:14]([C:11]2=[CH:3][CH:5]=[C:12]([OH:36])[CH:4]=[CH:2]2)=[CH:6][C:13]3=[O:37])[O:47]1 |
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