| Properties | Image |
|---|
| MNX_ID | MNXM1127773 |
 |
| reference | chebi:165223 |
| formula | C21H18O9 |
| global charge | 0 |
| mol weight | 414.366 |
| InChIKey | IBZGBXXTIGCACK-CWKPULSASA-N |
| InChI | InChI=1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1 |
| SMILES | COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O)C(O)=C1C2=O |
MNX internals
| InChI (mnx) | InChI=1/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:30][C:11]1=[CH:4][CH:2]=[CH:3][C:8]2=[C:14]1[C:20](=[O:28])[C:16]1=[C:15]([C:17]2=[O:25])[C:18]([OH:26])=[C:9]2[CH2:5][C@:21]([C:12]([CH2:7][OH:22])=[O:24])([OH:29])[CH2:6][C@H:10]([OH:23])[C:13]2=[C:19]1[OH:27] |
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