MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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chrysin

	Properties	Image
MNX_ID	MNXM8420
reference	chebi:75095
formula	C₁₅H₁₀O₄
global charge	0
mol weight	254.241
InChIKey	RTIXKCRFFJGDFG-UHFFFAOYSA-N
InChI	InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES	O=C1C=C(C2=CC=CC=C2)OC2=C1C(O)=CC(O)=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]([C:13]2=[CH:8][C:12](=[O:18])[C:15]3=[C:11]([OH:17])[CH:6]=[C:10]([OH:16])[CH:7]=[C:14]3[O:19]2)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75095 chebi:75095 RTIXKCRFFJGDFG-UHFFFAOYSA-N	chrysin 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one 5,7-Dihydroxyflavone 5,7-dihydroxy-2-phenylchromen-4-one
hmdb:HMDB0036619 RTIXKCRFFJGDFG-UHFFFAOYSA-N	5,7-Dihydroxyflavone 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one 5,7-Dihydroxy-2-phenylchromen-4-one 5,7-Dihydroxy-flavone 5,7-dihydroxy-2-phenyl-4H-chromen-4-one Chrysin Chrysine Chrysinic acid Ois 3 chrysin
sabiork.compound:12113 sabiorkM:12113 kegg.compound:C10028 keggC:C10028 lipidmaps:LMPK12110189 lipidmapsM:LMPK12110189 RTIXKCRFFJGDFG-UHFFFAOYSA-N	Chrysin 5,7-Dihydroxyflavone
seed.compound:cpd06918 seedM:cpd06918 RTIXKCRFFJGDFG-UHFFFAOYSA-M	Chrysin 5,7-Dihydroxyflavone 5,7-dihydroxyflavone chrysin
metacyc.compound:CPD-8184 metacycM:CPD-8184 RTIXKCRFFJGDFG-UHFFFAOYSA-M	chrysin 5,7-dihydroxyflavone
hmdb:HMDB36619 chebi:3683 keggC:M_C10028 seedM:M_cpd06918	secondary/obsolete/fantasy identifier