| Properties | Image |
|---|
| MNX_ID | MNXM106098 |
 |
| reference | chebi:69591 |
| formula | C20H24O6 |
| global charge | 0 |
| mol weight | 360.406 |
| InChIKey | DTWUHAOZSGPUHQ-MGPUTAFESA-N |
| InChI | InChI=1S/C20H24O6/c1-24-17-8-13(6-5-12(17)4-3-7-21)20-15(11-22)14-9-16(23)19(25-2)10-18(14)26-20/h5-6,8-10,15,20-23H,3-4,7,11H2,1-2H3/t15-,20+/m0/s1 |
| SMILES | COC1=CC2=C(C=C1O)[C@H](CO)[C@@H](C1=CC(OC)=C(CCCO)C=C1)O2 |
MNX internals
| InChI (mnx) | InChI=1/C20H24O6/c1-24-17-8-13(6-5-12(17)4-3-7-21)20-15(11-22)14-9-16(23)19(25-2)10-18(14)26-20/h5-6,8-10,15,20-23H,3-4,7,11H2,1-2H3/t15-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:24][C:17]1=[C:12]([CH2:4][CH2:3][CH2:7][OH:21])[CH:5]=[CH:6][C:13]([C@@H:20]2[C@@H:15]([CH2:11][OH:22])[C:14]3=[CH:9][C:16]([OH:23])=[C:19]([O:25][CH3:2])[CH:10]=[C:18]3[O:26]2)=[CH:8]1 |
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