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CHEBI:225382 - Cysfluoretin

ChEBI IDCHEBI:225382
ChEBI NameCysfluoretin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27NO8S
Net Charge0
Average Mass501.557
Monoisotopic Mass501.14574
SMILESCOc1cc(CSCC(NC(C)=O)C(=O)O)cc2c1-c1c(O)c3c(c(O)c1C2)C(OC)CCC3=O
InChIInChI=1S/C25H27NO8S/c1-11(27)26-15(25(31)32)10-35-9-12-6-13-8-14-20(19(13)18(7-12)34-3)24(30)21-16(28)4-5-17(33-2)22(21)23(14)29/h6-7,15,17,29-30H,4-5,8-10H2,1-3H3,(H,26,27)(H,31,32)
InChIKeyXSTMCEQPHBSFEK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8226325)
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)
Cysfluoretin (CHEBI:225382) is a fluorenes (CHEBI:24059)
IUPAC Name 
2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]luoren-2-yl)methylsulanyl]propanoic acid
Manual XrefsDatabases
8046325ChemSpider