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CHEBI:203388 - Cyanosporaside B

ChEBI IDCHEBI:203388
ChEBI NameCyanosporaside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20ClNO6
Net Charge0
Average Mass417.845
Monoisotopic Mass417.09792
SMILESC[C@H]1O[C@@H](O[C@]23C(=Cc4c(Cl)cc(CC#N)cc42)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)29-21-12(3-4-16(21)24)9-13-14(21)7-11(5-6-23)8-15(13)22/h3-4,7-10,16-17,19,24-25,27H,5H2,1-2H3/t10-,16+,17-,19+,20+,21-/m1/s1
InChIKeyYQLQWGVOWKPLFR-SFLKYZCSSA-N
Species of MetaboliteComponentSourceComments
Salinispora pacifica (ncbitaxon:351187) - PubMed (16524258)
ChEBI Ontology
Outgoing Relation(s)
Cyanosporaside B (CHEBI:203388) is a indene (CHEBI:37910)
IUPAC Name 
2-[(1S,8bR)-5-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
9850795ChemSpider