Puberulonic acid
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Formula: C9H4O7
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Molecular weight: 224.12
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Smiles: C1=C2C(=C(C(=C(C1=O)O)O)O)C(=O)OC2=O
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Type: Tropolone derivative
Puberulonic acid
Names
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Mycotoxin name: Puberulonic acid
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First synonym: None
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Synonyms: Puberulonic acid,82-83-7,UNII-VB11UHS18K,VB11UHS18K,1H-Cyclohepta(c)furan-1,2,4-trione, 5,6,7-trihydroxy-,puberulonate,PUBERULONIC ACID [MI],SCHEMBL343597,SCHEMBL21101011,CHEBI:205771,JAJRKOVXTSKCLS-UHFFFAOYSA-N,4,5,6-trihydroxycyclohepta[c]uran-1,3,7-trione,Q27291735,4,6,7-trihydroxy-1H-cyclohepta[c]furan-1,3,5-trione,1H-CYCLOHEPTA(C)FURAN-1,3,4-TRIONE, 5,6,7-TRIHYDROXY-,1,3,5-CYCLOHEPTATRIENE-1,2-DICARBOXYLIC ANHYDRIDE, 4,5,6-TRIHYDROXY-7-OXO-
Identifiers / External links
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CAS: 82-83-7
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PubChem CID: 54684723
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ChEMBL: CHEMBL343597,CHEMBL21101011
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US FDA (UNII): UNII-VB11UHS18K
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Wikidata (wiki): Q27291735
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Chemical Entities of Biological Interest (CHEBI): CHEBI:205771
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SCHEMBL: SCHEMBL343597,SCHEMBL21101011
Structure
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Smiles: C1=C2C(=C(C(=C(C1=O)O)O)O)C(=O)OC2=O
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Isomeric smiles: C1=C2C(=C(C(=C(C1=O)O)O)O)C(=O)OC2=O
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Inchi: InChI=1S/C9H4O7/c10-3-1-2-4(9(15)16-8(2)14)6(12)7(13)5(3)11/h1H,(H3,10,11,12,13)
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Inchikey: JAJRKOVXTSKCLS-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C9H4O7
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Molecular weight: 224.12
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Monoisotopic mass: 223.99570246
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Fungi
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Fungi id Species