isotanshinone IIB

Properties Image MNX_ID MNXM105844 reference chebi:66098 formula C19H18O4 global charge 0 mol weight 310.349 InChIKey VIDDDTBBUDIKKK-UHFFFAOYSA-N InChI InChI=1S/C19H18O4/c1-10-8-23-18-14(10)16(21)12-5-6-13-11(15(12)17(18)22)4-3-7-19(13,2)9-20/h5-6,8,20H,3-4,7,9H2,1-2H3 SMILES CC1=COC2=C1C(=O)C1=CC=C3C(=C1C2=O)CCCC3(C)CO MNX internals InChI (mnx) InChI=1/C19H18O4/c1-10-8-23-18-14(10)16(21)12-5-6-13-11(15(12)17(18)22)4-3-7-19(13,2)9-20/h5-6,8,20H,3-4,7,9H2,1-2H3/t19? SMILES (mnx) [CH3:1][C:10]1=[CH:8][O:23][C:18]2=[C:14]1[C:16](=[O:21])[C:12]1=[CH:5][CH:6]=[C:13]3[C:11](=[C:15]1[C:17]2=[O:22])[CH2:4][CH2:3][CH2:7][C:19]3([CH3:2])[CH2:9][OH:20]

Parent-child relations graph

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