| Properties | Image |
|---|
| MNX_ID | MNXM147854 |
 |
| reference | metacycM:CPD-17593 |
| formula | C21H24O7 |
| global charge | 0 |
| mol weight | 388.416 |
| InChIKey | XMLWGUKRPGLJGA-LSDHHAIUSA-N |
| InChI | InChI=1S/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m0/s1 |
| SMILES | COC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C(OC)=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:25][C:17]1=[C:16]([OH:22])[CH:5]=[CH:4][C:12]([CH2:6][C@H:14]2[CH2:11][O:28][C:21](=[O:24])[C@@H:15]2[CH2:7][C:13]2=[CH:9][C:18]([O:26][CH3:2])=[C:20]([OH:23])[C:19]([O:27][CH3:3])=[CH:10]2)=[CH:8]1 |
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