| Properties | Image |
|---|
| MNX_ID | MNXM147624 |
 |
| reference | metacycM:CPD-17592 |
| formula | C20H22O7 |
| global charge | 0 |
| mol weight | 374.389 |
| InChIKey | FMVYKFXTOXIOFV-UONOGXRCSA-N |
| InChI | InChI=1S/C20H22O7/c1-25-17-8-11(3-4-15(17)21)5-13-10-27-20(24)14(13)6-12-7-16(22)19(23)18(9-12)26-2/h3-4,7-9,13-14,21-23H,5-6,10H2,1-2H3/t13-,14+/m0/s1 |
| SMILES | COC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C(O)=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C20H22O7/c1-25-17-8-11(3-4-15(17)21)5-13-10-27-20(24)14(13)6-12-7-16(22)19(23)18(9-12)26-2/h3-4,7-9,13-14,21-23H,5-6,10H2,1-2H3/t13-,14+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:25][C:17]1=[C:15]([OH:21])[CH:4]=[CH:3][C:11]([CH2:5][C@H:13]2[CH2:10][O:27][C:20](=[O:24])[C@@H:14]2[CH2:6][C:12]2=[CH:7][C:16]([OH:22])=[C:19]([OH:23])[C:18]([O:26][CH3:2])=[CH:9]2)=[CH:8]1 |
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