| Properties | Image |
|---|
| MNX_ID | MNXM153468 |
 |
| reference | chebi:75398 |
| formula | C28H32O16 |
| global charge | 0 |
| mol weight | 624.548 |
| InChIKey | VBQHDIZHOUCBIA-FJUFGMPQSA-N |
| InChI | InChI=1S/C28H32O16/c1-39-16-4-10(2-3-12(16)30)15-7-14(32)20-13(31)5-11(6-17(20)42-15)41-28-26(38)24(36)22(34)19(44-28)9-40-27-25(37)23(35)21(33)18(8-29)43-27/h2-7,18-19,21-31,33-38H,8-9H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 |
| SMILES | COC1=CC(C2=CC(=O)C3=C(C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O)O2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O16/c1-39-16-4-10(2-3-12(16)30)15-7-14(32)20-13(31)5-11(6-17(20)42-15)41-28-26(38)24(36)22(34)19(44-28)9-40-27-25(37)23(35)21(33)18(8-29)43-27/h2-7,18-19,21-31,33-38H,8-9H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][O:39][C:16]1=[C:12]([OH:30])[CH:3]=[CH:2][C:10]([C:15]2=[CH:7][C:14](=[O:32])[C:20]3=[C:13]([OH:31])[CH:5]=[C:11]([O:41][C@H:28]4[C@H:26]([OH:38])[C@@H:24]([OH:36])[C@H:22]([OH:34])[C@@H:19]([CH2:9][O:40][C@H:27]5[C@H:25]([OH:37])[C@@H:23]([OH:35])[C@H:21]([OH:33])[C@@H:18]([CH2:8][OH:29])[O:43]5)[O:44]4)[CH:6]=[C:17]3[O:42]2)=[CH:4]1 |
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