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

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(2S)-naringenin 4'-methyl ether

	Properties	Image
MNX_ID	MNXM21071
reference	chebi:27552
formula	C₁₆H₁₄O₅
global charge	0
mol weight	286.283
InChIKey	HMUJXQRRKBLVOO-AWEZNQCLSA-N
InChI	InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES	COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(O)C=C3O)O2)C=C1

MNX internals

InChI (mnx)	InChI=1/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES (mnx)	[CH3:1][O:20][C:11]1=[CH:5][CH:3]=[C:9]([C@@H:14]2[CH2:8][C:13](=[O:19])[C:16]3=[C:12]([OH:18])[CH:6]=[C:10]([OH:17])[CH:7]=[C:15]3[O:21]2)[CH:2]=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27552 chebi:27552 HMUJXQRRKBLVOO-AWEZNQCLSA-N	(2S)-naringenin 4'-methyl ether (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one (S)-2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 4'-Methylnaringenin 4'-methoxy-5,7-dihydroxyflavanone Isosakuranetin naringenin 4'-methyl ether
CHEBI:193496 chebi:193496 HMUJXQRRKBLVOO-UHFFFAOYSA-N	5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
lipidmaps:LMPK12140355 lipidmapsM:LMPK12140355 HMUJXQRRKBLVOO-AWEZNQCLSA-N	Isosakuranetin
kegg.compound:C05334 keggC:C05334 HMUJXQRRKBLVOO-AWEZNQCLSA-N	Isosakuranetin 4'-Methoxy-5,7-dihydroxyflavonone 4'-Methylnaringenin
seed.compound:cpd03162 seedM:cpd03162 HMUJXQRRKBLVOO-AWEZNQCLSA-N	Isosakuranetin 4'-Methoxy-5,7-dihydroxyflavonone 4'-Methylnaringenin 4'-methoxy-5,7-dihydroxy flavanone isosakuranetin ponciretin
hmdb:HMDB0253690 HMUJXQRRKBLVOO-UHFFFAOYSA-N	Isosakuranetin 5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one isosakuranetin
metacyc.compound:CPD-7080 metacycM:CPD-7080 HMUJXQRRKBLVOO-UHFFFAOYSA-M	ponciretin 4'-methoxy-5,7-dihydroxy flavanone isosakuranetin
chebi:1733 chebi:20258 keggC:M_C05334 seedM:M_cpd03162	secondary/obsolete/fantasy identifier