Asacoumarin A

Properties Image MNX_ID MNXM119388 reference hmdb:HMDB0033972 formula C24H30O5 global charge 0 mol weight 398.499 InChIKey NFXNEAJDYTXPLG-FPMGOWAVSA-N InChI InChI=1S/C24H30O5/c1-16(2)5-9-22(26)18(4)14-20(25)13-17(3)11-12-28-21-8-6-19-7-10-24(27)29-23(19)15-21/h5-8,10-11,14-15,20,22,25-26H,9,12-13H2,1-4H3/b17-11+,18-14- SMILES CC(C)=CCC(O)/C(C)=C\C(O)C/C(C)=C/COC1=CC2=C(C=CC(=O)O2)C=C1 MNX internals InChI (mnx) InChI=1/C24H30O5/c1-16(2)5-9-22(26)18(4)14-20(25)13-17(3)11-12-28-21-8-6-19-7-10-24(27)29-23(19)15-21/h5-8,10-11,14-15,20,22,25-26H,9,12-13H2,1-4H3/b17-11+,18-14-/t20?,22? SMILES (mnx) [CH3:1][C:16]([CH3:2])=[CH:5][CH2:9][CH:22](/[C:18]([CH3:4])=[CH:14]\[CH:20]([CH2:13]/[C:17]([CH3:3])=[CH:11]/[CH2:12][O:28][C:21]1=[CH:15][C:23]2=[C:19]([CH:6]=[CH:8]1)[CH:7]=[CH:10][C:24](=[O:27])[O:29]2)[OH:25])[OH:26]

Parent-child relations graph

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