| Properties | Image |
|---|
| MNX_ID | MNXM101995 |
 |
| reference | chebi:68137 |
| formula | C20H22O7 |
| global charge | 0 |
| mol weight | 374.389 |
| InChIKey | REZVXIYYURPOSL-ARALLLCVSA-N |
| InChI | InChI=1S/C20H22O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-23H,9H2,1-2H3/t12-,17+,18-,19+,20-/m1/s1 |
| SMILES | COC1=C(O)C=CC([C@H]2O[C@@H](O)[C@H]3[C@H]2CO[C@H]3C2=CC(OC)=C(O)C=C2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H22O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-23H,9H2,1-2H3/t12-,17+,18-,19+,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:24][C:15]1=[C:13]([OH:21])[CH:5]=[CH:3][C:10]([C@@H:18]2[C@@H:12]3[CH2:9][O:26][C@@H:19]([C:11]4=[CH:8][C:16]([O:25][CH3:2])=[C:14]([OH:22])[CH:6]=[CH:4]4)[C@H:17]3[C@H:20]([OH:23])[O:27]2)=[CH:7]1 |
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