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Puberulic acid

  • Formula: C8H6O6

  • Molecular weight: 198.13

  • Smiles: C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O

  • Type: Tropolone derivative

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Puberulic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Puberulic acid

  • First synonym: None

  • Synonyms: Puberulic acid,Puberlic acid,99-23-0,UNII-456JC9FRVK,456JC9FRVK,4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid,PUBERULIC ACID [MI],DTXSID70879321,1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-,3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid,PUBERULICACID,SCHEMBL524294,CHEMBL3588897,SCHEMBL21100911,DTXCID301017334,1,3,6-Cycloheptatriene-1-carboxylicacid, 3,4,6-trihydroxy-5-oxo-,HY-N12700,CS-1046721,Q27258814,3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid #

Identifiers / External links

Structure

  • Smiles: C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O

  • Isomeric smiles: C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O

  • Inchi: InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)

  • Inchikey: RRDGXYZZWSIADF-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C8H6O6

  • Molecular weight: 198.13

  • Monoisotopic mass: 198.01643791

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