| Properties | Image |
|---|
| MNX_ID | MNXM100872 |
 |
| reference | chebi:67648 |
| formula | C21H26O7 |
| global charge | 0 |
| mol weight | 390.432 |
| InChIKey | JUJIQKRWLCSYQD-WAWZGNHOSA-N |
| InChI | InChI=1S/C21H26O7/c1-26-17-5-11-4-13(9-22)15(10-23)20(14(11)8-16(17)24)12-6-18(27-2)21(25)19(7-12)28-3/h5-8,13,15,20,22-25H,4,9-10H2,1-3H3/t13-,15-,20-/m1/s1 |
| SMILES | COC1=CC2=C(C=C1O)[C@@H](C1=CC(OC)=C(O)C(OC)=C1)[C@H](CO)[C@@H](CO)C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H26O7/c1-26-17-5-11-4-13(9-22)15(10-23)20(14(11)8-16(17)24)12-6-18(27-2)21(25)19(7-12)28-3/h5-8,13,15,20,22-25H,4,9-10H2,1-3H3/t13-,15-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:26][C:17]1=[C:16]([OH:24])[CH:8]=[C:14]2[C:11](=[CH:5]1)[CH2:4][C@H:13]([CH2:9][OH:22])[C@@H:15]([CH2:10][OH:23])[C@@H:20]2[C:12]1=[CH:6][C:18]([O:27][CH3:2])=[C:21]([OH:25])[C:19]([O:28][CH3:3])=[CH:7]1 |
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