| Properties | Image |
|---|
| MNX_ID | MNXM101925 |
 |
| reference | chebi:68348 |
| formula | C27H30O15 |
| global charge | 0 |
| mol weight | 594.522 |
| InChIKey | CKDKWYQPVPNIAZ-SLJRIFGCSA-N |
| InChI | InChI=1S/C27H30O15/c1-37-25-20(33)17-13(30)6-12(7-14(17)40-24(25)10-2-4-11(29)5-3-10)39-27-23(36)21(34)19(32)16(42-27)9-38-26-22(35)18(31)15(8-28)41-26/h2-7,15-16,18-19,21-23,26-32,34-36H,8-9H2,1H3/t15-,16+,18-,19+,21-,22+,23+,26+,27+/m0/s1 |
| SMILES | COC1=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2C1=O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O15/c1-37-25-20(33)17-13(30)6-12(7-14(17)40-24(25)10-2-4-11(29)5-3-10)39-27-23(36)21(34)19(32)16(42-27)9-38-26-22(35)18(31)15(8-28)41-26/h2-7,15-16,18-19,21-23,26-32,34-36H,8-9H2,1H3/t15-,16+,18-,19+,21-,22+,23+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][C:25]1=[C:24]([C:10]2=[CH:3][CH:5]=[C:11]([OH:29])[CH:4]=[CH:2]2)[O:40][C:14]2=[CH:7][C:12]([O:39][C@H:27]3[C@H:23]([OH:36])[C@@H:21]([OH:34])[C@H:19]([OH:32])[C@@H:16]([CH2:9][O:38][C@H:26]4[C@H:22]([OH:35])[C@@H:18]([OH:31])[C@H:15]([CH2:8][OH:28])[O:41]4)[O:42]3)=[CH:6][C:13]([OH:30])=[C:17]2[C:20]1=[O:33] |
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