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CHEBI:213845 - Cyanosporaside D

ChEBI IDCHEBI:213845
ChEBI NameCyanosporaside D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12ClNO3
Net Charge0
Average Mass301.729
Monoisotopic Mass301.05057
SMILESCC(=O)O[C@H]1C=CC2=Cc3c(Cl)cc(CC#N)cc3[C@]21O
InChIInChI=1S/C16H12ClNO3/c1-9(19)21-15-3-2-11-8-12-13(16(11,15)20)6-10(4-5-18)7-14(12)17/h2-3,6-8,15,20H,4H2,1H3/t15-,16+/m0/s1
InChIKeyBDIOOCOCCOXOLZ-JKSUJKDBSA-N
Species of MetaboliteComponentSourceComments
Salinispora pacifica CNS-143 (ncbitaxon:1150612) - PubMed (23458364)
ChEBI Ontology
Outgoing Relation(s)
Cyanosporaside D (CHEBI:213845) is a indene (CHEBI:37910)
IUPAC Name 
[(1S,8bR)-5-chloro-7-(cyanomethyl)-8b-hydroxy-1H-cyclopenta[a]inden-1-yl] acetate
Manual XrefsDatabases
29215591ChemSpider