| Properties | Image |
|---|
| MNX_ID | MNXM1129519 |
 |
| reference | chebi:176383 |
| formula | C22H22O8 |
| global charge | 0 |
| mol weight | 414.41 |
| InChIKey | JHDAVTOBIFNIPF-YOYBCKCWSA-N |
| InChI | InChI=1S/C22H22O8/c1-30-18-12-15(4-9-17(18)25)6-11-20(27)22(29,21(28)13-23)19(26)10-5-14-2-7-16(24)8-3-14/h2-12,21,23-25,28-29H,13H2,1H3/b10-5+,11-6+ |
| SMILES | COC1=C(O)C=CC(/C=C/C(=O)C(O)(C(=O)/C=C/C2=CC=C(O)C=C2)C(O)CO)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O8/c1-30-18-12-15(4-9-17(18)25)6-11-20(27)22(29,21(28)13-23)19(26)10-5-14-2-7-16(24)8-3-14/h2-12,21,23-25,28-29H,13H2,1H3/b10-5+,11-6+/t21?,22? |
 |
| SMILES (mnx) | [CH3:1][O:30][C:18]1=[C:17]([OH:25])[CH:9]=[CH:4][C:15](/[CH:6]=[CH:11]/[C:20]([C:22]([C:19](/[CH:10]=[CH:5]/[C:14]2=[CH:3][CH:8]=[C:16]([OH:24])[CH:7]=[CH:2]2)=[O:26])([CH:21]([CH2:13][OH:23])[OH:28])[OH:29])=[O:27])=[CH:12]1 |
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