Catechin 5-sulfate

Properties Image MNX_ID MNXM1129990 reference hmdb:HMDB0240489 formula C15H14O9S global charge 0 mol weight 370.335 InChIKey MWSSRHFQMROXGK-SWLSCSKDSA-N InChI InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1 SMILES O=S(=O)(O)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC(O)=C(O)C=C1)O2 MNX internals InChI (mnx) InChI=1/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:10]([OH:17])=[C:11]([OH:18])[CH:3]=[C:7]1[C@@H:15]1[C@@H:12]([OH:19])[CH2:6][C:9]2=[C:13]([CH:4]=[C:8]([OH:16])[CH:5]=[C:14]2[O:24][S:25]([OH:20])(=[O:21])=[O:22])[O:23]1

Parent-child relations graph

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