9-demethyl fr-901235
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Formula: C17H14O7
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Molecular weight: 330.29
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Smiles: CC1=CC(=C2C3=C1C(=CC(=C3C(=O)C(C2=O)(CC(=O)C)O)O)O)O
9-demethyl fr-901235
Names
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Mycotoxin name: 9-demethyl fr-901235
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First synonym: 1029520-85-1
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Synonyms: 1029520-85-1,2,4,6,9-tetrahydroxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione,(+)-2,4,6,9-tetrahydroxy-7-methyl-2-(2-oxopropyl)-1H-phenalene-1,3(2H)-dione,9-demethyl FR-901235,CHEMBL4643797
Identifiers / External links
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CAS: 1029520-85-1
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PubChem CID: 24854385
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ChemSpiderID: 27023669
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ChEMBL: CHEMBL4643797
Structure
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Smiles: CC1=CC(=C2C3=C1C(=CC(=C3C(=O)C(C2=O)(CC(=O)C)O)O)O)O
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Isomeric smiles: CC1=CC(=C2C3=C1C(=CC(=C3C(=O)C(C2=O)(CC(=O)C)O)O)O)O
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Inchi: InChI=1S/C17H14O7/c1-6-3-8(19)12-14-11(6)9(20)4-10(21)13(14)16(23)17(24,15(12)22)5-7(2)18/h3-4,19-21,24H,5H2,1-2H3
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Inchikey: TZARUQGWUTUJCN-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H14O7
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Molecular weight: 330.29
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Monoisotopic mass: 330.07395278
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Fungi
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Fungi id Species 956 Penicillium sp. JP-1 957 Penicillium sp. JP-1