| Properties | Image |
|---|
| MNX_ID | MNXM102645 |
 |
| reference | chebi:65394 |
| formula | C27H28O11 |
| global charge | 0 |
| mol weight | 528.51 |
| InChIKey | CWTBVTWONZDFAF-ZRRJEQDASA-N |
| InChI | InChI=1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25-,26-,27-/m1/s1 |
| SMILES | CC(=O)O[C@@H]1O[C@@H]([C@@]2(O)C3=CC=CC(O)=C3C(=O)C3=C2C=C(C)C=C3O)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]([CH3:2])=[CH:8][C:18](=[O:31])[O:37][C@@H:24]1[C@@H:22]([OH:33])[C@H:25]([C@@:27]2([OH:35])[C:14]3=[C:19]([C:16]([OH:29])=[CH:7][CH:5]=[CH:6]3)[C:21](=[O:32])[C:20]3=[C:15]2[CH:9]=[C:12]([CH3:3])[CH:10]=[C:17]3[OH:30])[O:38][C@@H:26]([O:36][C:13]([CH3:4])=[O:28])[C@@H:23]1[OH:34] |
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