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CHEBI:210599 - Fischambiguine B

ChEBI IDCHEBI:210599
ChEBI NameFischambiguine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29ClN2O2
Net Charge0
Average Mass436.983
Monoisotopic Mass436.19176
SMILES[C-]#[N+][C@@]12[C@@](C)(C=C)[C@H](Cl)C[C@@H]3C(C)(C)c4cccc5nc(c(c45)[C@]31O)C(C)(C)[C@]21CO1
InChIInChI=1S/C26H29ClN2O2/c1-8-23(6)17(27)12-16-21(2,3)14-10-9-11-15-18(14)19-20(29-15)22(4,5)24(13-31-24)26(23,28-7)25(16,19)30/h8-11,16-17,29-30H,1,12-13H2,2-6H3/t16-,17-,23+,24-,25-,26-/m1/s1
InChIKeyKJUYAVAQJZRMGD-BNGQEVPLSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua UTEX 1903 (ncbitaxon:230521) - PubMed (20965528)
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)
Fischambiguine B (CHEBI:210599) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(9R,10S,11R,12R,14R,15R)-12-chloro-11-ethenyl-10-isocyano-8,8,11,18,18-pentamethylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16)-tetraene-9,2'-oxirane]-15-ol
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34501440ChemSpider