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

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psoralen

	Properties	Image
MNX_ID	MNXM4091
reference	chebi:27616
formula	C₁₁H₆O₃
global charge	0
mol weight	186.166
InChIKey	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
InChI	InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
SMILES	O=C1C=CC2=CC3=C(C=C2O1)OC=C3

MNX internals

InChI (mnx)	InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
SMILES (mnx)	[CH:1]1=[CH:2][C:11](=[O:12])[O:14][C:10]2=[CH:6][C:9]3=[C:8]([CH:3]=[CH:4][O:13]3)[CH:5]=[C:7]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27616 chebi:27616 ZCCUUQDIBDJBTK-UHFFFAOYSA-N	psoralen 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone 6,7-furanocoumarin 6-hydroxy-5-benzofuranacrylic acid delta-lactone 7H-furo[3,2-g][1]benzopyran-7-one 7H-furo[3,2-g]chromen-7-one Ficusin Manaderm Psoralen furo[2',3':7,6]coumarin furo[4',5':6,7]coumarin furocoumarin psoralene
seed.compound:cpd06200 seedM:cpd06200 ZCCUUQDIBDJBTK-UHFFFAOYSA-N	Ficusin 6-hydroxy-5-benzofuranacrylic acid gamma-lactone 7H-Furo[3,2-g][1]benzopyran-7-one Psoralen ficusin furocoumarin phytoalexin psoralen
kegg.drug:D08450 keggD:D08450 ZCCUUQDIBDJBTK-UHFFFAOYSA-N	Psoralene (DCF) Manaderm (TN) Psoralen
hmdb:HMDB0034272 ZCCUUQDIBDJBTK-UHFFFAOYSA-N	Psoralen 2H-furo[3,2-g]Chromen-2-one 3-(6-Hydroxy-5-benzofuranyl)-2-propenoate delta-lactone 3-(6-Hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone 6,7-Furanocoumarin 6-Hydroxy-5-benzofuranacrylate delta-lactone 6-Hydroxy-5-benzofuranacrylic acid beta-lactone 6-Hydroxy-5-benzofuranacrylic acid delta-lactone 6-Hydroxy-5-benzofuranacrylic acid gamma-lactone 7H-Furo[3,2-g][1]benzopyran-7-one 7H-Furo[3,2-g]chromen-7-one 7H-furo(3,2-g)(1)Benzopyran-7-one 7H-furo[3,2-g]Benzopyran-7-one 7H-furo[3,2-g][1]Benzopyran-7-one, 9ci 7H-furo[3,2-g]chromen-7-one Ficusin Furo[2',3':7,6]coumarin Furo[4',5':6,7]coumarin Furocoumarin Manaderm Phytoalexin Phytoalexin-CMPD Psoralene Psorline-P furo(2',3',7,6)Coumarin furo(3,2-g)-Coumarin furo(4',5',6,7)Coumarin furo[2'.3':7.6]Coumarin furo[3,2-g]Coumarin psoralen
kegg.compound:C09305 keggC:C09305 ZCCUUQDIBDJBTK-UHFFFAOYSA-N	Psoralen 7H-Furo[3,2-g]chromen-7-one Ficusin
metacyc.compound:PHYTOALEXIN-CMPD metacycM:PHYTOALEXIN-CMPD ZCCUUQDIBDJBTK-UHFFFAOYSA-N	psoralen 6-hydroxy-5-benzofuranacrylic acid gamma-lactone 7H-Furo[3,2-g][1]benzopyran-7-one ficusin furocoumarin
hmdb:HMDB34272 chebi:26368 chebi:378534 chebi:8615 keggC:M_C09305 keggD:M_D08450 seedM:M_cpd06200	secondary/obsolete/fantasy identifier