| Properties | Image |
|---|
| MNX_ID | MNXM163931 |
 |
| reference | metacycM:CPD-19313 |
| formula | C20H19O8 |
| global charge | -1 |
| mol weight | 387.364 |
| InChIKey | CRNUHUFIZWEHLT-VCPQXCNPSA-M |
| InChI | InChI=1S/C20H20O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,20-21,24-25H,1-2H3,(H,22,23)/p-1/b6-3+/t17-,18+/m1/s1 |
| SMILES | COC1=CC([C@@H]2OC3=C(C=C(/C=C/C(=O)[O-])C=C3OC)[C@H]2C(O)O)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C20H20O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,20-21,24-25H,1-2H3,(H,22,23)/b6-3+/t17-,18+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:26][C:14]1=[C:13]([OH:21])[CH:5]=[CH:4][C:11]([C@H:18]2[C@H:17]([CH:20]([OH:24])[OH:25])[C:12]3=[C:19]([C:15]([O:27][CH3:2])=[CH:8][C:10](/[CH:3]=[CH:6]/[C:16](=[O:22])[OH:23])=[CH:7]3)[O:28]2)=[CH:9]1 |
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