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CHEBI:206060 - Tubingensin A

ChEBI IDCHEBI:206060
ChEBI NameTubingensin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO
Net Charge0
Average Mass401.594
Monoisotopic Mass401.27186
SMILESCC(C)=CCC[C@]12c3cc4c(cc3CC[C@@]1(C)[C@H](C)CC[C@@H]2O)nc1ccccc14
InChIInChI=1S/C28H35NO/c1-18(2)8-7-14-28-23-17-22-21-9-5-6-10-24(21)29-25(22)16-20(23)13-15-27(28,4)19(3)11-12-26(28)30/h5-6,8-10,16-17,19,26,29-30H,7,11-15H2,1-4H3/t19-,26+,27+,28-/m1/s1
InChIKeyBWCQRIGHZTXFEA-AIERRPMVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tubingensis (ncbitaxon:5068) - DOI (10.1021/jo00281a010)
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)
Tubingensin A (CHEBI:206060) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(16S,17R,20S,21R)-16,17-dimethyl-21-(4-methylpent-3-enyl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaen-20-ol
Manual XrefsDatabases
10267469ChemSpider