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CHEBI:227872 - Actinomadurol

ChEBI IDCHEBI:227872
ChEBI NameActinomadurol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILESC=C[C@]1(C)CCC2=C(C1)[C@H](O)C[C@H]1C(CO)=CC(=O)[C@@H](O)[C@]21C
InChIInChI=1S/C19H26O4/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/h4,7,14-15,17,20-21,23H,1,5-6,8-10H2,2-3H3/t14-,15+,17+,18+,19+/m0/s1
InChIKeyBUUHDERFHDMSIH-ZPKKHLQPSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (27367579)
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)
Actinomadurol (CHEBI:227872) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4S,4aS,7R,9R,10aS)-7-ethenyl-4,9-dihydroxy-1-(hydroxymethyl)-4a,7-dimethyl-5,6,8,9,10,10a-hexahydro-4H-phenanthren-3-one
Manual XrefsDatabases
76776271ChemSpider