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CHEBI:199755 - Cyanosporaside A

ChEBI IDCHEBI:199755
ChEBI NameCyanosporaside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20ClNO6
Net Charge0
Average Mass417.845
Monoisotopic Mass417.09792
SMILESC[C@H]1O[C@@H](O[C@]23C(=Cc4ccc(CC#N)c(Cl)c42)C=C[C@@H]3O)[C@H](O)C(=O)[C@@]1(C)O
InChIInChI=1S/C21H20ClNO6/c1-10-20(2,27)18(26)17(25)19(28-10)29-21-13(5-6-14(21)24)9-12-4-3-11(7-8-23)16(22)15(12)21/h3-6,9-10,14,17,19,24-25,27H,7H2,1-2H3/t10-,14+,17-,19+,20+,21+/m1/s1
InChIKeyFMQYEPDNLFRUQP-LPYYISIISA-N
Species of MetaboliteComponentSourceComments
Salinispora pacifica (ncbitaxon:351187) - PubMed (16524258)
ChEBI Ontology
Outgoing Relation(s)
Cyanosporaside A (CHEBI:199755) is a indene (CHEBI:37910)
IUPAC Name 
2-[(1S,8bR)-8-chloro-8b-[(2S,3S,5S,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxooxan-2-yl]oxy-1-hydroxy-1H-cyclopenta[a]inden-7-yl]acetonitrile
Manual XrefsDatabases
9879136ChemSpider