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Biochanin a 7-sulfate

PropertiesImage
MNX_IDMNXM1129986 Image of MNXM1129986
referencehmdb:HMDB0240484
formulaC16H12O8S
global charge0
mol weight364.331
InChIKeyXSOANDKYUDOEER-UHFFFAOYSA-N
InChIInChI=1S/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21)
SMILESCOC1=CC=C(C2=COC3=CC(OS(=O)(=O)O)=CC(O)=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21) Image of MNXM1129986
SMILES (mnx)[CH3:1][O:22][C:10]1=[CH:5][CH:3]=[C:9]([C:12]2=[CH:8][O:23][C:14]3=[CH:7][C:11]([O:24][S:25]([OH:19])(=[O:20])=[O:21])=[CH:6][C:13]([OH:17])=[C:15]3[C:16]2=[O:18])[CH:2]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0240484
XSOANDKYUDOEER-UHFFFAOYSA-N 		Biochanin a 7-sulfate
Biochanin a 7-sulfuric acid
Biochanin a 7-sulphate
Biochanin a 7-sulphuric acid
[5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonate
[5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulphonate
[5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulphonic acid
[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxidanesulfonic acid