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

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pinostrobin

MNXM9030 is deprecated and here replaced by MNXM1372139
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1372139
reference	chebi:80491
formula	C₁₆H₁₄O₄
global charge	0
mol weight	270.284
InChIKey	ORJDDOBAOGKRJV-AWEZNQCLSA-N
InChI	InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
SMILES	COC1=CC(O)=C2C(=O)C[C@@H](C3=CC=CC=C3)OC2=C1

MNX internals

InChI (mnx)	InChI=1/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
SMILES (mnx)	[CH3:1][O:19][C:11]1=[CH:7][C:12]([OH:17])=[C:16]2[C:13](=[O:18])[CH2:9][C@@H:14]([C:10]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)[O:20][C:15]2=[CH:8]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:80491 chebi:80491 ORJDDOBAOGKRJV-AWEZNQCLSA-N	pinostrobin (2S)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one (2S)-5-hydroxy-7-methoxyflavanone Pinocembrin-7-methylether dihydrotectochrysin
metacyc.compound:CPD-7028 metacycM:CPD-7028 ORJDDOBAOGKRJV-AWEZNQCLSA-N	(2S)-pinostrobin (2S)-2,3-dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone (2S)-5-hydroxy-7-methoxyflavanone
kegg.compound:C16419 keggC:C16419 ORJDDOBAOGKRJV-AWEZNQCLSA-N	Pinostrobin
lipidmaps:LMPK12140216 lipidmapsM:LMPK12140216 ORJDDOBAOGKRJV-AWEZNQCLSA-N	Pinostrobin (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one Dihydrotectochrysin
seed.compound:cpd15125 seedM:cpd15125 ORJDDOBAOGKRJV-AWEZNQCLSA-N	Pinostrobin (S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone pinostrobin
keggC:M_C16419 seedM:M_cpd15125	secondary/obsolete/fantasy identifier