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CHEBI:208354 - Cyanosporaside C

ChEBI IDCHEBI:208354
ChEBI NameCyanosporaside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22ClNO7
Net Charge0
Average Mass459.882
Monoisotopic Mass459.10848
SMILESCC(=O)O[C@]1(C)C(=O)[C@@H](O)[C@H](O[C@]23C(=Cc4c(Cl)cc(CC#N)cc42)C=C[C@@H]3O)O[C@@H]1C
InChIInChI=1S/C23H22ClNO7/c1-11-22(3,31-12(2)26)20(29)19(28)21(30-11)32-23-14(4-5-18(23)27)10-15-16(23)8-13(6-7-25)9-17(15)24/h4-5,8-11,18-19,21,27-28H,6H2,1-3H3/t11-,18+,19-,21+,22+,23-/m1/s1
InChIKeyJDWXQXVZKUSNSM-NYUUDHSBSA-N
Species of MetaboliteComponentSourceComments
Salinispora pacifica CNS-143 (ncbitaxon:1150612) - PubMed (23458364)
ChEBI Ontology
Outgoing Relation(s)
Cyanosporaside C (CHEBI:208354) is a indene (CHEBI:37910)
IUPAC Name 
[(2R,3S,5S,6S)-6-[[(1S,8bR)-5-chloro-7-(cyanomethyl)-1-hydroxy-1H-cyclopenta[a]inden-8b-yl]oxy]-5-hydroxy-2,3-dimethyl-4-oxooxan-3-yl] acetate
Manual XrefsDatabases
29215590ChemSpider