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

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taxifolin

	Properties	Image
MNX_ID	MNXM1370061
reference	metacycM:Dihydroquercetins
formula	C₁₅H₁₂O₇
global charge	0
mol weight	304.254
InChIKey	CXQWRCVTCMQVQX-MLCCFXAWSA-N
InChI	InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15?/m0/s1
SMILES	O=C1C2=C(C=C(O)C=C2O)OC(C2=CC=C(O)C(O)=C2)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15?/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:8]([OH:17])=[C:9]([OH:18])[CH:3]=[C:6]1[CH:15]1[C@@H:14]([OH:21])[C:13](=[O:20])[C:12]2=[C:10]([OH:19])[CH:4]=[C:7]([OH:16])[CH:5]=[C:11]2[O:22]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
Identifier	Description
metacyc.compound:Dihydroquercetins metacycM:Dihydroquercetins CXQWRCVTCMQVQX-MLCCFXAWSA-N	taxifolin a cis or trans dihydroquercetin dihydroquercetin
hmdb:HMDB0242509 CXQWRCVTCMQVQX-UHFFFAOYSA-N	(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one Taxifolin taxifolin
seed.compound:cpd34190 seedM:cpd34190 CXQWRCVTCMQVQX-UHFFFAOYSA-N	(4S)-2,3-dehydro-leucocyanidin
seed.compound:cpd26970 seedM:cpd26970 CXQWRCVTCMQVQX-MLCCFXAWSA-N	Dihydroquercetins
sabiork.compound:5702 sabiorkM:5702 CXQWRCVTCMQVQX-UHFFFAOYSA-N	Taxifolin (+)-Dihydroquercetin (+)-Taxifolin Dihydroquercetin JV-3 trans-Dihydroquercetin trans-Dihydroquercetins
CHEBI:38747 chebi:38747 CXQWRCVTCMQVQX-UHFFFAOYSA-N	taxifolin rel-(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one
seedM:M_cpd26970 seedM:M_cpd34190	secondary/obsolete/fantasy identifier