| Properties | Image |
|---|
| MNX_ID | MNXM168038 |
 |
| reference | metacycM:CPD-18170 |
| formula | C32H38O19 |
| global charge | 0 |
| mol weight | 726.637 |
| InChIKey | PBZKZNBPDHJOIG-TWCGKSTOSA-N |
| InChI | InChI=1S/C32H38O19/c33-7-16-22(38)26(42)30(49-18-9-46-31(45)27(43)23(18)39)29(48-16)20-15(50-32-28(44)25(41)21(37)17(8-34)51-32)6-14-19(24(20)40)12(36)5-13(47-14)10-1-3-11(35)4-2-10/h1-6,16-18,21-23,25-35,37-45H,7-9H2/t16-,17-,18-,21+,22-,23-,25+,26+,27+,28-,29+,30-,31-,32+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O)C(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C32H38O19/c33-7-16-22(38)26(42)30(49-18-9-46-31(45)27(43)23(18)39)29(48-16)20-15(50-32-28(44)25(41)21(37)17(8-34)51-32)6-14-19(24(20)40)12(36)5-13(47-14)10-1-3-11(35)4-2-10/h1-6,16-18,21-23,25-35,37-45H,7-9H2/t16-,17-,18-,21+,22-,23-,25+,26+,27+,28-,29+,30-,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:35])=[CH:4][CH:2]=[C:10]1[C:13]1=[CH:5][C:12](=[O:36])[C:19]2=[C:14]([CH:6]=[C:15]([O:50][C@@H:32]3[C@H:28]([OH:44])[C@@H:25]([OH:41])[C@@H:21]([OH:37])[C@@H:17]([CH2:8][OH:34])[O:51]3)[C:20]([C@H:29]3[C@H:30]([O:49][C@@H:18]4[CH2:9][O:46][C@@H:31]([OH:45])[C@@H:27]([OH:43])[C@@H:23]4[OH:39])[C@@H:26]([OH:42])[C@H:22]([OH:38])[C@@H:16]([CH2:7][OH:33])[O:48]3)=[C:24]2[OH:40])[O:47]1 |
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