Pergillin
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Formula: C15H16O4
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Molecular weight: 260.28
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Smiles: CC(=C1C(=O)C2=C(O1)C3=C(CC(OC3)(C)O)C=C2)C
Pergillin
Names
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Mycotoxin name: Pergillin
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First synonym: Pergillin
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Synonyms: pergillin,CHEMBL470469,CHEBI:174424,7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrouro[3,2-h]isochromen-3-one,11-hydroxy-11-methyl-4-(propan-2-ylidene)-3,12-dioxatricyclo[7.4.0.0^{2,6}]trideca-1,6,8-trien-5-one,6,9-Dihydro-7-hydroxy-7-methyl-2-(1-methylethylidene)-7H-furo[3,2-h][2]benzopyran-3(2H)-one, 9CI
Identifiers / External links
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PubChem CID: 44559765
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ChEMBL: CHEMBL470469
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Chemical Entities of Biological Interest (CHEBI): CHEBI:174424
Structure
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Smiles: CC(=C1C(=O)C2=C(O1)C3=C(CC(OC3)(C)O)C=C2)C
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Isomeric smiles: CC(=C1C(=O)C2=C(O1)C3=C(CC(OC3)(C)O)C=C2)C
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Inchi: InChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3
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Inchikey: MKXDAWJZYZIEIP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H16O4
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Molecular weight: 260.28
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Monoisotopic mass: 260.10485899
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Fungi
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Fungi id Species 280 Aspergillus ustus 094102