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casticin

PropertiesImage
MNX_IDMNXM103563 Image of MNXM103563
referencechebi:69355
formulaC19H18O8
global charge0
mol weight374.345
InChIKeyPJQLSMYMOKWUJG-UHFFFAOYSA-N
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILESCOC1=C(O)C=C(C2=C(OC)C(=O)C3=C(O)C(OC)=C(OC)C=C3O2)C=C1
MNX internals
InChI (mnx)InChI=1/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3 Image of MNXM103563
SMILES (mnx)[CH3:1][O:23][C:11]1=[C:10]([OH:20])[CH:7]=[C:9]([C:17]2=[C:19]([O:26][CH3:4])[C:16](=[O:22])[C:14]3=[C:15]([OH:21])[C:18]([O:25][CH3:3])=[C:13]([O:24][CH3:2])[CH:8]=[C:12]3[O:27]2)[CH:5]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69355
chebi:69355
PJQLSMYMOKWUJG-UHFFFAOYSA-N 		casticin
3',5-dihydroxy-3,4',6,7-tetramethoxyflavone
3,6,7,4'-tetra-O-methyl-5,3'-dihydroxyflavone
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one
quercetagetin 3,6,7,4'-tetramethyl ether
vitexicarpin

metacyc.compound:CPD-14856
metacycM:CPD-14856
seed.compound:cpd35724
seedM:cpd35724
PJQLSMYMOKWUJG-UHFFFAOYSA-N 		3,6,7,4'-tetramethylquercetagetin
hmdb:HMDB0030660
PJQLSMYMOKWUJG-UHFFFAOYSA-N 		Casticin
3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone
3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-benzopyran-4-one, 9ci
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one
Quercetagetin 3,6,7,4'-tetramethyl ether
VX-5 CPD
Vitexicarpin
casticin

lipidmaps:LMPK12113010
lipidmapsM:LMPK12113010
PJQLSMYMOKWUJG-UHFFFAOYSA-N 		Casticin
3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone
Quercetagetin 3,6,7,4'-tetramethyl ether

hmdb:HMDB30660
seedM:M_cpd35724 		secondary/obsolete/fantasy identifier