Psoralen
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Formula: C11H6O3
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Molecular weight: 186.16
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Smiles: C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
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Type: Furanocoumarin
Psoralen
Names
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Mycotoxin name: Psoralen
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First synonym: None
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Synonyms: Psoralen,66-97-7,7H-Furo[3,2-g]chromen-7-one,Ficusin,Furocoumarin,Psoralene,7H-Furo[3,2-g][1]benzopyran-7-one,Psorline-P,furo[3,2-g]chromen-7-one,6,7-Furanocoumarin,Furo(3,2-g)-coumarin,Furo(2',3',7,6)coumarin,Furo(4',5',6,7)coumarin,Furo[3,2-g]coumarin,NSC 404562,CCRIS 4343,Manaderm,Furo[2',3':7,6]coumarin,Furo[4',5':6,7]coumarin,KTZ7ZCN2EX,UNII-KTZ7ZCN2EX,7H-Furo(3,2-g)(1)benzopyran-7-one,HSDB 3528,7H-Furo[3,2-g]benzopyran-7-one,EINECS 200-639-7,6-Hydroxy-5-benzofuranacrylic acid beta-lactone,NSC-404562,BRN 0152784,Furo[2'.3':7.6]coumarin,5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone,CHEBI:27616,MFCD00010520,6-hydroxy-5-benzofuranacrylic acid delta-lactone,CHEMBL164660,2H-furo[3,2-g]chromen-2-one,2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone,DTXSID00216205,6-hydroxy-5-benzofuranacrylic acid gamma-lactone,5-19-04-00445 (Beilstein Handbook Reference),TNP00293,3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone,PSORALEN (USP-RS),PSORALEN [USP-RS],furo(2',3':7,6)coumarin,furo(4',5':6,7)coumarin,7H-Furo(3,2-g)chromen-7-one,C11H6O3,furo,furano[3,2-g]chromen-2-one,Psoralene (DCF),Manaderm (TN),Psoralen,(S),Psoralen, 97%,Furo[4',7]coumarin,PHYTOALEXIN-CMPD,PSORALEN [HSDB],PSORALEN [MI],PSORALEN [WHO-DD],Oprea1_841692,SCHEMBL17835,Psoralen, analytical standard,MLS001304059,MEGxp0_001172,Psoralen, >=99% (HPLC),ACon1_001579,pyrano[5,6-f]benzofuran-7-one,DTXCID60138696,HMS2267L05,BCP04177,HY-N0053,7H-Furo[3,2-g]chromen-7-one #,BDBM50331544,NSC404562,s4737,STL564822,AKOS004110987,AC-7968,CCG-266472,CS-3756,FURO(2',3':7',6)COUMARIN,NCGC00017351-01,NCGC00017351-02,NCGC00017351-03,NCGC00017351-07,NCGC00142529-01,AS-59034,SMR000112587,NS00015842,P2077,7H-Furo[3,2-g][1]benzopyran-7-one, 9CI,6-hydroxy-5-benzofuranacrylic Acid deta-lacton,C09305,D08450,P-7850,Q417788,BRD-K47264279-001-01-4,BRD-K47264279-001-08-9,5-Benzofuranacrylic acid, 6-hydroxy-, .delta.-lactone,Z1201617131,6-HYDROXY-5-BENZOFURANACRYLIC ACID .DELTA.-LACTONE,2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone,InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6
Identifiers / External links
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CAS: 12-11-2,19-04-0,001-08-9,66-97-7,001-01-4
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PubChem CID: 6199
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DSS TOX CID: DTXCID60138696
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ChEMBL: CHEMBL164660,CHEMBL17835
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US FDA (UNII): UNII-KTZ7ZCN2EX
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Wikidata (wiki): Q417788
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Chemical Entities of Biological Interest (CHEBI): CHEBI:27616
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CompTox Chemicals Dashboard (DTXSID): DTXSID00216205
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SCHEMBL: SCHEMBL17835
Structure
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Smiles: C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
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Isomeric smiles: C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
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Inchi: InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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Inchikey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C11H6O3
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Molecular weight: 186.16
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Monoisotopic mass: 186.031694049
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Fungi
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Fungi id Species 546 Fusarium oxysporum