| Properties | Image |
|---|
| MNX_ID | MNXM51571 |
 |
| reference | chebi:4704 |
| formula | C18H12O9 |
| global charge | 0 |
| mol weight | 372.285 |
| InChIKey | FBPGRTYADYGYRG-AHBCHLHISA-N |
| InChI | InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1 |
| SMILES | O=C1C2=C(C(=O)C3=C(O)C=CC(O)=C13)C(O)=C1C(=C2)O[C@H]2O[C@@H](O)C[C@@]12O |
MNX internals
| InChI (mnx) | InChI=1/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:7]([OH:20])=[C:12]2[C:11](=[C:6]1[OH:19])[C:14](=[O:22])[C:5]1=[C:10]([C:15]2=[O:23])[C:16]([OH:24])=[C:13]2[C:8](=[CH:3]1)[O:26][C@@H:17]1[C@@:18]2([OH:25])[CH2:4][C@H:9]([OH:21])[O:27]1 |
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