Fragransin D3

Properties Image MNX_ID MNXM125769 reference chebi:175947 formula C22H28O6 global charge 0 mol weight 388.46 InChIKey AGYZMBXYRZJNNA-UHFFFAOYSA-N InChI InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3 SMILES COC1=CC(C2OC(C3=CC(OC)=C(OC)C=C3)C(C)C2C)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3/t12?,13?,21?,22? SMILES (mnx) [CH3:1][CH:12]1[CH:13]([CH3:2])[CH:22]([C:15]2=[CH:10][C:18]([O:26][CH3:5])=[C:20]([OH:23])[C:19]([O:27][CH3:6])=[CH:11]2)[O:28][CH:21]1[C:14]1=[CH:9][C:17]([O:25][CH3:4])=[C:16]([O:24][CH3:3])[CH:8]=[CH:7]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0