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

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Seselin

	Properties	Image
MNX_ID	MNXM108797
reference	chebi:69040
formula	C₁₄H₁₂O₃
global charge	0
mol weight	228.247
InChIKey	QUVCQYQEIOLHFZ-UHFFFAOYSA-N
InChI	InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
SMILES	CC1(C)C=CC2=C(C=CC3=C2OC(=O)C=C3)O1

MNX internals

InChI (mnx)	InChI=1/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
SMILES (mnx)	[CH3:1][C:14]1([CH3:2])[CH:8]=[CH:7][C:10]2=[C:11]([CH:5]=[CH:3][C:9]3=[C:13]2[O:16][C:12](=[O:15])[CH:6]=[CH:4]3)[O:17]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:69040 chebi:69040 QUVCQYQEIOLHFZ-UHFFFAOYSA-N	Seselin 8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one Amyrolin
seed.compound:cpd06207 seedM:cpd06207 kegg.compound:C09312 keggC:C09312 QUVCQYQEIOLHFZ-UHFFFAOYSA-N	Seselin
hmdb:HMDB0034257 QUVCQYQEIOLHFZ-UHFFFAOYSA-N	Seselin 3',4'-Di-O-(-)-camphanoyl-(+)-cis-khellactone 8,8-Dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one 8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9ci 8,8-Dimethyl-2H,8H-pyrano[2,3-F]chromen-2-one 8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one 8,8-dimethylpyrano[2,3-h]chromen-2-one Amyrolin Pyranocoumarin deriv. Seseline
hmdb:HMDB34257 chebi:9129 keggC:M_C09312 seedM:M_cpd06207	secondary/obsolete/fantasy identifier