| Properties | Image (std) | Image (mnx) |
|---|
| MNX_ID | MNXM1369232 |
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 |
| reference | chebi:169022 |
| formula (std) | C32H40O16 |
| global charge (std) | 0 |
| mol weight (std) | 680.656 |
| InChIKey (std) | ZNGICWZSXCCSHV-AZWAJALJSA-N |
| InChI (std) | InChI=1S/C32H40O16/c1-11(2)4-5-15-23(38)21-18(45-29(15)13-6-16(35)24(39)17(36)7-13)8-14(34)9-19(21)46-32-30(27(42)25(40)20(10-33)47-32)48-31-28(43)26(41)22(37)12(3)44-31/h6-9,11-12,20,22,25-28,30-37,39-43H,4-5,10H2,1-3H3/t12?,20?,22-,25+,26-,27-,28?,30?,31-,32+/m0/s1 |
| InChI (mnx) | InChI=1/C32H40O16/c1-11(2)4-5-15-23(38)21-18(45-29(15)13-6-16(35)24(39)17(36)7-13)8-14(34)9-19(21)46-32-30(27(42)25(40)20(10-33)47-32)48-31-28(43)26(41)22(37)12(3)44-31/h6-9,11-12,20,22,25-28,30-37,39-43H,4-5,10H2,1-3H3/t12?,20?,22-,25+,26-,27-,28?,30?,31-,32+/m0/s1 |
| SMILES (std) | CC(C)CCC1=C(C2=CC(O)=C(O)C(O)=C2)OC2=C(C1=O)C(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O)=CC(O)=C2 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:4][CH2:5][C:15]1=[C:29]([C:13]2=[CH:6][C:16]([OH:35])=[C:24]([OH:39])[C:17]([OH:36])=[CH:7]2)[O:45][C:18]2=[C:21]([C:19]([O:46][C@H:32]3[CH:30]([O:48][C@H:31]4[CH:28]([OH:43])[C@@H:26]([OH:41])[C@@H:22]([OH:37])[CH:12]([CH3:3])[O:44]4)[C@@H:27]([OH:42])[C@H:25]([OH:40])[CH:20]([CH2:10][OH:33])[O:47]3)=[CH:9][C:14]([OH:34])=[CH:8]2)[C:23]1=[O:38] |
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