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CHEBI:221642 - JBIR-65

ChEBI IDCHEBI:221642
ChEBI NameJBIR-65
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILESC=CC1(C)CCC2=C(C1)C(=O)CC1C(CO)=CC(=O)C(O)C21C
InChIInChI=1S/C19H24O4/c1-4-18(2)6-5-13-12(9-18)15(21)8-14-11(10-20)7-16(22)17(23)19(13,14)3/h4,7,14,17,20,23H,1,5-6,8-10H2,2-3H3
InChIKeyNFZRXQHLYHVCAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies SpB081030SC-15 (ncbitaxon:745696) - PubMed (20551988)
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)
JBIR-65 (CHEBI:221642) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
7-ethenyl-4-hydroxy-1-(hydroxymethyl)-4a,7-dimethyl-4,5,6,8,10,10a-hexahydrophenanthrene-3,9-dione
Manual XrefsDatabases
27024947ChemSpider