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CHEBI:202872 - Clostrubin A

ChEBI IDCHEBI:202872
ChEBI NameClostrubin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H18O6
Net Charge0
Average Mass414.413
Monoisotopic Mass414.11034
SMILESCC(O)=c1ccc2c(c1O)c(=O)c1c3cc(C)cc(=O)c3c(O)c3c(O)cc(C)c2c31
InChIInChI=1S/C25H18O6/c1-9-6-14-18(15(27)7-9)24(30)21-16(28)8-10(2)17-13-5-4-12(11(3)26)23(29)20(13)25(31)19(14)22(17)21/h4-8,26,28-30H,1-3H3
InChIKeyHKZBCPLWGPITMW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Clostridium beijerinckii (ncbitaxon:1520) - PubMed (24827417)
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)
Clostrubin A (CHEBI:202872) is a phenanthrol (CHEBI:25962)
IUPAC Name 
8,10,18-trihydroxy-17-(1-hydroxyethylidene)-4,12-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,7,9,11,13,15,18-nonaene-6,20-dione
Manual XrefsDatabases
78434736ChemSpider