(1'S)-averantin

Properties Image MNX_ID MNXM8323 reference chebi:77899 formula C20H19O7 global charge -1 mol weight 371.365 InChIKey WGPOPPKSQRZUTP-LBPRGKRZSA-M InChI InChI=1S/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/p-1/t12-/m0/s1 SMILES CCCCC[C@H](O)C1=C(O)C=C2C(=O)C3=C(C(=O)C2=C1O)C(O)=CC([O-])=C3 MNX internals InChI (mnx) InChI=1/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/t12-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@@H:12]([C:17]1=[C:14]([OH:24])[CH:8]=[C:11]2[C:16](=[C:20]1[OH:27])[C:19](=[O:26])[C:15]1=[C:10]([CH:6]=[C:9]([OH:21])[CH:7]=[C:13]1[OH:23])[C:18]2=[O:25])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 13 in models (compartimentalized) 1