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CHEBI:197719 - Prejadomycin 2-carboxylate

ChEBI IDCHEBI:197719
ChEBI NamePrejadomycin 2-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESCC1=C(C(=O)O)C(=O)C2c3cc4cccc(O)c4c(O)c3C(=O)CC2(O)C1
InChIInChI=1S/C20H16O7/c1-8-6-20(27)7-12(22)15-10(16(20)18(24)13(8)19(25)26)5-9-3-2-4-11(21)14(9)17(15)23/h2-5,16,21,23,27H,6-7H2,1H3,(H,25,26)
InChIKeyHZZQUBYOXIKCPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces albus (ncbitaxon:1888) - PubMed (18988223)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Prejadomycin 2-carboxylate (CHEBI:197719) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
4a,7,8-trihydroxy-3-methyl-1,6-dioxo-5,12b-dihydro-4H-benzo[a]anthracene-2-carboxylic acid
Manual XrefsDatabases
78435920ChemSpider