pterolinus H

Properties Image MNX_ID MNXM108316 reference chebi:67390 formula C20H22O6 global charge 0 mol weight 358.39 InChIKey YIMDSLZENLJYDM-PVCZSOGJSA-N InChI InChI=1S/C20H22O6/c1-5-14(13-6-7-18(25-3)17(23)8-13)15-11-20(24,10-12(2)21)19(26-4)9-16(15)22/h5-9,11,14,23-24H,1,10H2,2-4H3/t14-,20?/m0/s1 SMILES C=C[C@@H](C1=CC(O)=C(OC)C=C1)C1=CC(O)(CC(C)=O)C(OC)=CC1=O MNX internals InChI (mnx) InChI=1/C20H22O6/c1-5-14(13-6-7-18(25-3)17(23)8-13)15-11-20(24,10-12(2)21)19(26-4)9-16(15)22/h5-9,11,14,23-24H,1,10H2,2-4H3/t14-,20?/m0/s1 SMILES (mnx) [CH2:1]=[CH:5][C@@H:14]([C:13]1=[CH:8][C:17]([OH:23])=[C:18]([O:25][CH3:3])[CH:7]=[CH:6]1)[C:15]1=[CH:11][C:20]([CH2:10][C:12]([CH3:2])=[O:21])([OH:24])[C:19]([O:26][CH3:4])=[CH:9][C:16]1=[O:22]

Parent-child relations graph

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