| Properties | Image |
|---|
| MNX_ID | MNXM11379 |
 |
| reference | chebi:55487 |
| formula | C21H20O7 |
| global charge | 0 |
| mol weight | 384.384 |
| InChIKey | QGZBAODZZJPSGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H20O7/c1-21(2,25)17-7-12-15(26-3)8-16-18(20(12)28-17)19(24)13(9-27-16)11-5-4-10(22)6-14(11)23/h4-6,8-9,17,22-23,25H,7H2,1-3H3 |
| SMILES | COC1=CC2=C(C(=O)C(C3=C(O)C=C(O)C=C3)=CO2)C2=C1CC(C(C)(C)O)O2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O7/c1-21(2,25)17-7-12-15(26-3)8-16-18(20(12)28-17)19(24)13(9-27-16)11-5-4-10(22)6-14(11)23/h4-6,8-9,17,22-23,25H,7H2,1-3H3/t17? |
 |
| SMILES (mnx) | [CH3:1][C:21]([CH3:2])([CH:17]1[CH2:7][C:12]2=[C:15]([O:26][CH3:3])[CH:8]=[C:16]3[C:18](=[C:20]2[O:28]1)[C:19](=[O:24])[C:13]([C:11]1=[C:14]([OH:23])[CH:6]=[C:10]([OH:22])[CH:4]=[CH:5]1)=[CH:9][O:27]3)[OH:25] |
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