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

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nodakenetin

MNXM3757 is deprecated and here replaced by MNXM735082
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM735082
reference	chebi:132623
formula	C₁₄H₁₄O₄
global charge	0
mol weight	246.262
InChIKey	FWYSBEAFFPBAQU-GFCCVEGCSA-N
InChI	InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
SMILES	CC(C)(O)[C@H]1CC2=C(C=C3OC(=O)C=CC3=C2)O1

MNX internals

InChI (mnx)	InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
SMILES (mnx)	[CH3:1][C:14]([CH3:2])([C@H:12]1[CH2:6][C:9]2=[C:11]([CH:7]=[C:10]3[C:8](=[CH:5]2)[CH:3]=[CH:4][C:13](=[O:15])[O:18]3)[O:17]1)[OH:16]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132623 chebi:132623 FWYSBEAFFPBAQU-GFCCVEGCSA-N	nodakenetin (-)-Marmesin (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one
hmdb:HMDB0030786 FWYSBEAFFPBAQU-UHFFFAOYSA-N	Marmesin (+)-Marmesin (S)-Marmesin 2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one S-(+)-Marmesin marmesin
hmdb:HMDB0302268 FWYSBEAFFPBAQU-GFCCVEGCSA-N	Nodakenetic (-)-Marmesin (-)-marmesin (2R)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one Marmesin Marmesin, (R)-isomer Nodakenetin
seed.compound:cpd06173 seedM:cpd06173 kegg.compound:C09278 keggC:C09278 FWYSBEAFFPBAQU-GFCCVEGCSA-N	Nodakenetin (-)-Marmesin
CHEBI:49080 chebi:49080 FWYSBEAFFPBAQU-UHFFFAOYSA-N	marmesin 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
hmdb:HMDB30786 chebi:49083 chebi:7606 keggC:M_C09278 seedM:M_cpd06173	secondary/obsolete/fantasy identifier