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CHEBI:217400 - Cyanosporaside F

ChEBI IDCHEBI:217400
ChEBI NameCyanosporaside F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27ClN2O5S
Net Charge0
Average Mass491.009
Monoisotopic Mass490.13292
SMILESCC(=O)NCCS[C@@H]1C[C@H](O)[C@@H](C)O[C@H]1O[C@H]1C=CC2=Cc3ccc(CC#N)c(Cl)c3[C@]21O
WURCSWURCS=2.0/1,1,0/[a2d22m-1b_1-5_1*OC^SC^R(CCCCCC$5/10)C=^XCC=^XC$3/12$4(/7)CC#N(/6)Cl/4O_2*SCCNCC/6=O]/1/
InChIInChI=1S/C24H27ClN2O5S/c1-13-18(29)12-19(33-10-9-27-14(2)28)23(31-13)32-20-6-5-17-11-16-4-3-15(7-8-26)22(25)21(16)24(17,20)30/h3-6,11,13,18-20,23,29-30H,7,9-10,12H2,1-2H3,(H,27,28)/t13-,18+,19-,20+,23+,24+/m1/s1
InChIKeyVDEAAOROPYVPJO-LSMMOFIXSA-N
Species of MetaboliteComponentSourceComments
Salinispora pacifica CNS-143 (ncbitaxon:1150612) - PubMed (23458364)
ChEBI Ontology
Outgoing Relation(s)
Cyanosporaside F (CHEBI:217400) is a hexose (CHEBI:18133)
IUPAC Name 
N-[2-[(2S,3R,5S,6R)-2-[[(1S,8bR)-8-chloro-7-(cyanomethyl)-8b-hydroxy-1H-cyclopenta[a]inden-1-yl]oxy]-5-hydroxy-6-methyloxan-3-yl]sulanylethyl]acetamide
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