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CHEBI:203517 - RK-95113

ChEBI IDCHEBI:203517
ChEBI NameRK-95113
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28ClNO6
Net Charge0
Average Mass401.887
Monoisotopic Mass401.16052
SMILESCO[C@H]1[C@H](C2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2
InChIInChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18?,19+/m1/s1
InChIKeyMSHZHSPISPJWHW-DWYAXKQASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (17256472)
ChEBI Ontology
Outgoing Relation(s)
RK-95113 (CHEBI:203517) is a carbamate ester (CHEBI:23003)
IUPAC Name 
[(3R,4S,5S,6R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
Manual XrefsDatabases
8106563ChemSpider