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

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eugenitin

	Properties	Image
MNX_ID	MNXM104999
reference	chebi:67491
formula	C₁₂H₁₂O₄
global charge	0
mol weight	220.224
InChIKey	RGTSAUBIQAKKLC-UHFFFAOYSA-N
InChI	InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3
SMILES	COC1=CC2=C(C(=O)C=C(C)O2)C(O)=C1C

MNX internals

InChI (mnx)	InChI=1/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3
SMILES (mnx)	[CH3:1][C:6]1=[CH:4][C:8](=[O:13])[C:11]2=[C:10]([CH:5]=[C:9]([O:15][CH3:3])[C:7]([CH3:2])=[C:12]2[OH:14])[O:16]1

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:67491 chebi:67491 RGTSAUBIQAKKLC-UHFFFAOYSA-N	eugenitin 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2,6-dimethyl-
hmdb:HMDB0029467 RGTSAUBIQAKKLC-UHFFFAOYSA-N	Eugenitin 5-Hydroxy-7-methoxy-2,6-dimethyl-4H-1-benzopyran-4-one 5-hydroxy-7-methoxy-2,6-dimethyl-4H-chromen-4-one eugenitin
hmdb:HMDB29467	secondary/obsolete/fantasy identifier