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

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apiforol

MNXM7076 is deprecated and here replaced by MNXM739560
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM739560
reference	chebi:74812
formula	C₁₅H₁₄O₅
global charge	0
mol weight	274.272
InChIKey	RPKUCYSGAXIESU-ABLWVSNPSA-N
InChI	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1
SMILES	OC1=CC=C([C@@H]2CC(O)C3=C(C=C(O)C=C3O)O2)C=C1

MNX internals

InChI (mnx)	InChI=1/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:9]([OH:16])=[CH:4][CH:2]=[C:8]1[C@@H:13]1[CH2:7][CH:12]([OH:19])[C:15]2=[C:11]([OH:18])[CH:5]=[C:10]([OH:17])[CH:6]=[C:14]2[O:20]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74812 chebi:74812 RPKUCYSGAXIESU-ABLWVSNPSA-N	apiforol (2S)-2-(4-hydroxyphenyl)chromane-4,5,7-triol (2S)-apiforol Apiforol flavan-4,4',5,7-tetrol leucoapigeninidin
kegg.compound:C12124 keggC:C12124 vmhM:apifrl vmhmetabolite:apifrl RPKUCYSGAXIESU-ABLWVSNPSA-N	Apiforol
seed.compound:cpd08906 seedM:cpd08906 RPKUCYSGAXIESU-ABLWVSNPSA-N	Apiforol apiforol leucoapigeninidin
metacyc.compound:CPD-11940 metacycM:CPD-11940 RPKUCYSGAXIESU-ABLWVSNPSA-N	apiforol leucoapigeninidin
chebi:29520 keggC:M_C12124 seedM:M_cpd08906 vmhM:M_apifrl	secondary/obsolete/fantasy identifier