Fusarubinoic acid
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Formula: C15H12O8
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Molecular weight: 320.25
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Smiles: CC(=O)CC1=C(C(=C2C(=O)C=C(C(=O)C2=C1O)OC)O)C(=O)O
Fusarubinoic acid
Names
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Mycotoxin name: Fusarubinoic acid
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First synonym: 117333-11-6
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Synonyms: 117333-11-6,Fusarubinoic acid,ACMC-20mn4s,DTXSID20766797,2-Naphthalenecarboxylicacid, 1,4-dihydro-5,8-dihydroxy-6-methoxy-1,4-dioxo-3-(2-oxopropyl)-,1,4-Dihydroxy-6-methoxy-5,8-dioxo-3-(2-oxopropyl)-5,8-dihydronaphthalene-2-carboxylic acid
Identifiers / External links
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CAS: 117333-11-6
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PubChem CID: 71339348
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ChemSpiderID: 35763943
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Chemical Entities of Biological Interest (CHEBI): CHEBI:222226
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CompTox Chemicals Dashboard (DTXSID): DTXSID20766797
Structure
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Smiles: CC(=O)CC1=C(C(=C2C(=O)C=C(C(=O)C2=C1O)OC)O)C(=O)O
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Isomeric smiles: CC(=O)CC1=C(C(=C2C(=O)C=C(C(=O)C2=C1O)OC)O)C(=O)O
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Inchi: InChI=1S/C15H12O8/c1-5(16)3-6-9(15(21)22)14(20)10-7(17)4-8(23-2)13(19)11(10)12(6)18/h4,18,20H,3H2,1-2H3,(H,21,22)
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Inchikey: JCQVSLPRIQVCHH-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H12O8
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Molecular weight: 320.25
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Monoisotopic mass: 320.05321734
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Fungi
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Fungi id Species 665 Nectria haematococca