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calycosin

PropertiesImage
MNX_IDMNXM1815 Image of MNXM1815
referencechebi:77992
formulaC16H11O5
global charge-1
mol weight283.259
InChIKeyZZAJQOPSWWVMBI-UHFFFAOYSA-M
InChIInChI=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
SMILESCOC1=C(O)C=C(C2=COC3=C(C=CC([O-])=C3)C2=O)C=C1
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 Image of MNXM1815
SMILES (mnx)[CH3:1][O:20][C:14]1=[C:13]([OH:18])[CH:6]=[C:9]([C:12]2=[CH:8][O:21][C:15]3=[C:11]([CH:4]=[CH:3][C:10]([OH:17])=[CH:7]3)[C:16]2=[O:19])[CH:2]=[CH:5]1
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
IdentifierDescription

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