| Properties | Image |
|---|
| MNX_ID | MNXM103710 |
 |
| reference | chebi:65613 |
| formula | C20H19ClO6 |
| global charge | 0 |
| mol weight | 390.819 |
| InChIKey | MWYMVCYBLZZWPG-BXKDBHETSA-N |
| InChI | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 |
| SMILES | COC1=C2C(=O)C3=C(OC2=CC=C1)C(Cl)=C(O)C([C@H]1CCC[C@@H](C)O1)=C3O |
MNX internals
| InChI (mnx) | InChI=1/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]1[CH2:5][CH2:3][CH2:7][C@H:12]([C:14]2=[C:18]([OH:23])[C:15]3=[C:20]([C:16]([Cl:21])=[C:19]2[OH:24])[O:27][C:11]2=[CH:8][CH:4]=[CH:6][C:10]([O:25][CH3:2])=[C:13]2[C:17]3=[O:22])[O:26]1 |
|