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CHEBI:216124 - Vanitaracin B

ChEBI IDCHEBI:216124
ChEBI NameVanitaracin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESCCC(C)CC(C)C(=O)OC1(C)C(=O)Cc2cc(O)c3c(c2C1=O)C[C@@H](O)C[C@H]3C
InChIInChI=1S/C24H32O6/c1-6-12(2)7-14(4)23(29)30-24(5)19(27)10-15-9-18(26)20-13(3)8-16(25)11-17(20)21(15)22(24)28/h9,12-14,16,25-26H,6-8,10-11H2,1-5H3/t12?,13-,14?,16+,24?/m1/s1
InChIKeyXEYHQCXTFFDUGL-DTTOJEKGSA-N
Species of MetaboliteComponentSourceComments
Talaromycesspecies (ncbitaxon:1707706) - PubMed (26271586)
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)
Vanitaracin B (CHEBI:216124) is a phenanthrol (CHEBI:25962)
IUPAC Name 
[(6S,8R)-6,9-dihydroxy-3,8-dimethyl-2,4-dioxo-5,6,7,8-tetrahydro-1H-phenanthren-3-yl] 2,4-dimethylhexanoate