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calycosin

Properties Image MNX_ID MNXM1815 reference chebi:77992 formula C16H11O5 global charge -1 mol weight 283.259 InChIKey ZZAJQOPSWWVMBI-UHFFFAOYSA-M InChI InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3/p-1 SMILES COc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1O MNX internals InChI (mnx) InChI=1/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 SMILES (mnx) [c:1]12[c:2]([cH:6][cH:11][c:8]([CH3:12])[cH:4]1)[C:5](=[CH2:10])[C:9]([C:13]1=[CH:14][C:16]([OH:21])=[O:18]([O:19][OH:20])[O:17]=[CH:15]1)=[CH:7][CH2:3]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:77992 chebi:77992 ZZAJQOPSWWVMBI-UHFFFAOYSA-M	calycosin 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate calycosin(1-)
sabiork.compound:5665 sabiorkM:5665 ZZAJQOPSWWVMBI-UHFFFAOYSA-N	Calycosin
seed.compound:cpd01100 seedM:cpd01100 ZZAJQOPSWWVMBI-UHFFFAOYSA-M	Calycosin 3',7-dihydroxy-4'-methoxyisoflavone 3'-hydroxyformononetin calycosin
hmdb:HMDB0249566 ZZAJQOPSWWVMBI-UHFFFAOYSA-N	Calycosin 3'-Hydroxy-formononetin 3'-Hydroxyformononetin 7,3'-Dihydroxy-4'-methoxyisoflavone 7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Calycosin (old) calycosin
kegg.compound:C01562 keggC:C01562 lipidmaps:LMPK12050056 lipidmapsM:LMPK12050056 ZZAJQOPSWWVMBI-UHFFFAOYSA-N	Calycosin 3'-Hydroxyformononetin
metacyc.compound:CPD-9539 metacycM:CPD-9539 ZZAJQOPSWWVMBI-UHFFFAOYSA-N	calycosin 3',7-dihydroxy-4'-methoxyisoflavone 3'-hydroxyformononetin
CHEBI:17793 chebi:17793 ZZAJQOPSWWVMBI-UHFFFAOYSA-N	calycosin 3'-hydroxy-formononetin 7,3'-dihydroxy-4'-methoxyisoflavone 7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Calycosin
envipath:...b208661192f7 envipathM:...b208661192f7 ZZAJQOPSWWVMBI-UHFFFAOYSA-N	compound 0047241
chebi:13938 chebi:22989 chebi:3334 keggC:M_C01562 seedM:M_cpd01100	secondary/obsolete/fantasy identifier