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CHEBI:217568 - Vanitaracin A

ChEBI IDCHEBI:217568
ChEBI NameVanitaracin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCCC(C)CC(C)C(=O)OC1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)C(C)(O)C1=O
InChIInChI=1S/C25H34O7/c1-7-12(2)8-14(4)22(29)32-25(6)21(28)20-16-10-15(26)9-13(3)19(16)18(27)11-17(20)24(5,31)23(25)30/h11-15,26-27,31H,7-10H2,1-6H3/t12?,13-,14?,15+,24?,25?/m1/s1
InChIKeyLCCGEVUWWBLMGC-PYFURSOWSA-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 A (CHEBI:217568) is a phenanthrol (CHEBI:25962)
IUPAC Name 
[(6S,8R)-1,6,9-trihydroxy-1,3,8-trimethyl-2,4-dioxo-5,6,7,8-tetrahydrophenanthren-3-yl] 2,4-dimethylhexanoate