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CHEBI:201702 - Aflavazole

ChEBI IDCHEBI:201702
ChEBI NameAflavazole
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FormulaC28H35NO2
Net Charge0
Average Mass417.593
Monoisotopic Mass417.26678
SMILESCc1cc2nc3ccccc3c2c2c1CCC13C(O)CCC(C)C1(C)C(O)CC(C)C23
InChIInChI=1S/C28H35NO2/c1-15-13-21-24(19-7-5-6-8-20(19)29-21)25-18(15)11-12-28-22(30)10-9-17(3)27(28,4)23(31)14-16(2)26(25)28/h5-8,13,16-17,22-23,26,29-31H,9-12,14H2,1-4H3
InChIKeyCXQOHHTZVIKVEM-UHFFFAOYSA-N
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)
Aflavazole (CHEBI:201702) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(2S,3R,5R,6S,7R,10S,11S)-3,6,7,15-tetramethyl-18-azahexacyclo[12.11.0.02,11.06,11.017,25.019,24]pentacosa-1(14),15,17(25),19,21,23-hexaene-5,10-diol
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2343213ChemSpider