Peniprequinolone
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Formula: C22H25NO5
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Molecular weight: 383.40
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Smiles: CC(=CCC1=C(C2=C(C=C1)NC(=O)C(C2(C3=CC=C(C=C3)OC)O)OC)O)C
Peniprequinolone
Names
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Mycotoxin name: Peniprequinolone
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First synonym: Peniprequinolone
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Synonyms: peniprequinolone,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydroquinolin-2(1H)-one,Peniprequinolone_120176,MLS000876990,CHEMBL516699,MEGxm0_000249,ACon0_000817,ACon1_002367,CHEBI:181572,HMS2267M24,ZINC13660211,MCULE-8322322588,NCGC00169912-01,NCGC00169912-03,SMR000440679,BRD-K17006545-001-01-3,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-1,3-dihydroquinolin-2-one
Identifiers / External links
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CAS: 001-01-3,328556-06-5
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PubChem CID: 16681748
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ChemSpiderID: 17614398
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ChEMBL: CHEMBL516699
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Chemical Entities of Biological Interest (CHEBI): CHEBI:181572
Structure
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Smiles: CC(=CCC1=C(C2=C(C=C1)NC(=O)C(C2(C3=CC=C(C=C3)OC)O)OC)O)C
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Isomeric smiles: CC(=CCC1=C(C2=C(C=C1)NC(=O)[C@@H]([C@]2(C3=CC=C(C=C3)OC)O)OC)O)C
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Inchi: InChI=1S/C22H25NO5/c1-13(2)5-6-14-7-12-17-18(19(14)24)22(26,20(28-4)21(25)23-17)15-8-10-16(27-3)11-9-15/h5,7-12,20,24,26H,6H2,1-4H3,(H,23,25)/t20-,22+/m0/s1
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Inchikey: ZRZQXSGEIJXJEO-RBBKRZOGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H25NO5
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Molecular weight: 383.40
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Monoisotopic mass: 383.1732729
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Fungi
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Fungi id Species 174 Aspergillus nidulans