ochrocarpin B

Properties Image MNX_ID MNXM107353 reference chebi:66812 formula C25H24O6 global charge 0 mol weight 420.461 InChIKey LCBIHGVAJHDTOY-UHFFFAOYSA-N InChI InChI=1S/C25H24O6/c1-13(2)10-17(26)21-22(28)20-15(14-8-6-5-7-9-14)12-19(27)31-23(20)16-11-18(25(3,4)29)30-24(16)21/h5-9,11-13,28-29H,10H2,1-4H3 SMILES CC(C)CC(=O)C1=C2OC(C(C)(C)O)=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O MNX internals InChI (mnx) InChI=1/C25H24O6/c1-13(2)10-17(26)21-22(28)20-15(14-8-6-5-7-9-14)12-19(27)31-23(20)16-11-18(25(3,4)29)30-24(16)21/h5-9,11-13,28-29H,10H2,1-4H3 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[CH2:10][C:17]([C:21]1=[C:24]2[C:16](=[C:23]3[C:20](=[C:22]1[OH:28])[C:15]([C:14]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)=[CH:12][C:19](=[O:27])[O:31]3)[CH:11]=[C:18]([C:25]([CH3:3])([CH3:4])[OH:29])[O:30]2)=[O:26]

Parent-child relations graph

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