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

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kaempferol

	Properties	Image
MNX_ID	MNXM1672
reference	chebi:58573
formula	C₁₅H₉O₆
global charge	-1
mol weight	285.231
InChIKey	IYRMWMYZSQPJKC-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H/p-1
SMILES	O=C1C([O-])=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([OH:16])=[CH:4][CH:2]=[C:7]1[C:15]1=[C:14]([OH:20])[C:13](=[O:19])[C:12]2=[C:10]([OH:18])[CH:5]=[C:9]([OH:17])[CH:6]=[C:11]2[O:21]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58573 chebi:58573 IYRMWMYZSQPJKC-UHFFFAOYSA-M	kaempferol 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate kaempferol oxoanion
lipidmaps:LMPK12110003 lipidmapsM:LMPK12110003 IYRMWMYZSQPJKC-UHFFFAOYSA-N	Kaempferol
hmdb:HMDB0005801 IYRMWMYZSQPJKC-UHFFFAOYSA-N	Kaempferol 3'-Deoxyquercetin 3,4',5,7-Tetrahydroxy-flavone (7ci,8ci) 3,4',5,7-Tetrahydroxyflavone 3,5,7,4'-Tetrahydroxyflavone 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-trihydroxyflavonol 5,7,4'-Trihydroxyflavonol C.I. 75640 Campherol Indigo yellow Kaemferol Kaempherol Kampcetin Kampferol Kampherol Kempferol Nimbecetin Pelargidenolon Pelargidenon Populnetin Rhamnolutein Rhamnolutin Robigenin Swartziol Trifolitin kaempferol
kegg.compound:C05903 keggC:C05903 IYRMWMYZSQPJKC-UHFFFAOYSA-N	Kaempferol 3,4',5,7-Tetrahydroxyflavone 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 5,7,4'-Trihydroxyflavonol C.I. 75640 Indigo yellow Kaempherol Kempferol Nimbecetin Pelargidenolon Populnetin Rhamnolutein Rhamnolutin Robigenin Swartziol Trifolitin
seed.compound:cpd19040 seedM:cpd19040 IYRMWMYZSQPJKC-UHFFFAOYSA-L	Kaempferol 3,4',5,7-Tetrahydroxyflavone 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 5,7,4'-Trihydroxyflavonol C.I. 75640 Indigo yellow Kaempherol Kempferol Nimbecetin Pelargidenolon Populnetin Rhamnolutein Rhamnolutin Robigenin Swartziol Trifolitin kaempferol
sabiork.compound:8253 sabiorkM:8253 IYRMWMYZSQPJKC-UHFFFAOYSA-N	Kaempferol 3,4',5,7-Tetrahydroxyflavone 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol C.I. 75640 Indigo yellow Kaempherol Kempferol Nimbecetin Pelargidenolon Populnetin Rhamnolutein Rhamnolutin Robigenin Swartziol Trifolitin
vmhM:tfltn vmhmetabolite:tfltn IYRMWMYZSQPJKC-UHFFFAOYSA-N	Trifolitin 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
metacyc.compound:CPD1F-90 metacycM:CPD1F-90 IYRMWMYZSQPJKC-UHFFFAOYSA-M	kaempferol
CHEBI:28499 chebi:28499 IYRMWMYZSQPJKC-UHFFFAOYSA-N	kaempferol 3,4',5,7-Tetrahydroxyflavone 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol 5,7,4'-trihydroxyflavonol C.I. 75640 Indigo yellow Kaempferol Kaempherol Kampherol Kempferol Nimbecetin Pelargidenolon Populnetin Rhamnolutein Rhamnolutin Robigenin Swartziol Trifolitin campherol
hmdb:HMDB05801 chebi:24944 chebi:43598 chebi:6100 keggC:M_C05903 seedM:M_cpd19040 vmhM:M_tfltn	secondary/obsolete/fantasy identifier