| Properties | Image |
|---|
| MNX_ID | MNXM113839 |
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| reference | chebi:66350 |
| formula | C20H18O9 |
| global charge | 0 |
| mol weight | 402.355 |
| InChIKey | BFHKLXFIZWDGDV-JTQLQIEISA-N |
| InChI | InChI=1S/C20H18O9/c1-8-3-11-16(18(25)14(8)20(27)29-7-10(23)6-21)19(26)15-12(17(11)24)4-9(22)5-13(15)28-2/h3-5,10,21-23,25H,6-7H2,1-2H3/t10-/m0/s1 |
| SMILES | COC1=CC(O)=CC2=C1C(=O)C1=C(C=C(C)C(C(=O)OC[C@@H](O)CO)=C1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C20H18O9/c1-8-3-11-16(18(25)14(8)20(27)29-7-10(23)6-21)19(26)15-12(17(11)24)4-9(22)5-13(15)28-2/h3-5,10,21-23,25H,6-7H2,1-2H3/t10-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:3][C:11]2=[C:16]([C:18]([OH:25])=[C:14]1[C:20](=[O:27])[O:29][CH2:7][C@H:10]([CH2:6][OH:21])[OH:23])[C:19](=[O:26])[C:15]1=[C:13]([O:28][CH3:2])[CH:5]=[C:9]([OH:22])[CH:4]=[C:12]1[C:17]2=[O:24] |
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