(+)-Chebulic acid

Properties Image MNX_ID MNXM114765 reference hmdb:HMDB0036617 formula C14H12O11 global charge 0 mol weight 356.239 InChIKey COZMWVAACFYLBI-UHFFFAOYSA-N InChI InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23) SMILES O=C(O)CC(C(=O)O)C1C2=C(O)C(O)=C(O)C=C2C(=O)OC1C(=O)O MNX internals InChI (mnx) InChI=1/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3?,8?,11? SMILES (mnx) [CH:1]1=[C:4]2[C:7](=[C:10]([OH:19])[C:9]([OH:18])=[C:5]1[OH:15])[CH:8]([CH:3]([CH2:2][C:6](=[O:16])[OH:17])[C:12](=[O:20])[OH:21])[CH:11]([C:13](=[O:22])[OH:23])[O:25][C:14]2=[O:24]

Parent-child relations graph

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