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

Feedback

flavonol

	Properties	Image
MNX_ID	MNXM4588
reference	chebi:5078
formula	C₁₅H₁₀O₃
global charge	0
mol weight	238.242
InChIKey	HVQAJTFOCKOKIN-UHFFFAOYSA-N
InChI	InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
SMILES	O=C1C(O)=C(C2=CC=CC=C2)OC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
SMILES (mnx)	[CH:1]1=[CH:2][CH:6]=[C:10]([C:15]2=[C:14]([OH:17])[C:13](=[O:16])[C:11]3=[CH:8][CH:4]=[CH:5][CH:9]=[C:12]3[O:18]2)[CH:7]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5078 chebi:5078 HVQAJTFOCKOKIN-UHFFFAOYSA-N	flavonol 3-Hydroxyflavone 3-hydroxy-2-phenyl-4H-1-benzopyran-4-one 3-hydroxy-2-phenyl-4H-chromen-4-one 3-hydroxy-2-phenylchromone Flavonol flavon-3-ol
hmdb:HMDB0031816 HVQAJTFOCKOKIN-UHFFFAOYSA-N	3-Hydroxyflavone 3,4-Flavandione 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci 3-Hydroxy-2-phenylchromone 3-hydroxy-2-phenyl-4H-chromen-4-one Flavon-3-ol Flavonol Flavonols flavonol
metacyc.compound:CPD-3261 metacycM:CPD-3261 HVQAJTFOCKOKIN-UHFFFAOYSA-M	3-hydroxyflavone flavon-3-ol flavonol
kegg.compound:C01495 keggC:C01495 HVQAJTFOCKOKIN-UHFFFAOYSA-N	Flavonol
seed.compound:cpd01060 seedM:cpd01060 HVQAJTFOCKOKIN-UHFFFAOYSA-N	Flavonol 3-hydroxyflavone flavon-3-ol flavonol
CHEBI:71993 chebi:71993 HVQAJTFOCKOKIN-UHFFFAOYSA-M	flavonol(1-)
hmdb:HMDB31816 keggC:M_C01495 seedM:M_cpd01060	secondary/obsolete/fantasy identifier