| Properties | Image |
|---|
| MNX_ID | MNXM12476 |
 |
| reference | chebi:81875 |
| formula | C21H18O8 |
| global charge | 0 |
| mol weight | 398.367 |
| InChIKey | WCKNDRCJQZCZLO-SAZGQGMLSA-N |
| InChI | InChI=1S/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21-/m0/s1 |
| SMILES | COC(=O)[C@@H]1C2=CC3=C(C(=O)C4=C(O)C=CC=C4C3=O)C(O)=C2[C@@H](O)C[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:21]1([OH:28])[CH2:7][C@H:12]([OH:23])[C:14]2=[C:9]([CH:6]=[C:10]3[C:15](=[C:19]2[OH:26])[C:18](=[O:25])[C:13]2=[C:8]([CH:4]=[CH:3][CH:5]=[C:11]2[OH:22])[C:17]3=[O:24])[C@H:16]1[C:20](=[O:27])[O:29][CH3:2] |
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