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CHEBI:223916 - Repraesentin B

Default Structure
ChEBI IDCHEBI:223916
ChEBI NameRepraesentin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC[C@]1(CO)C[C@H]2C[C@]3(C)CC[C@@](C)(C3=O)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-13(9-16)6-10-7-14(2)4-5-15(3,12(14)17)11(10)8-13/h10-11,16H,4-9H2,1-3H3/t10-,11-,13-,14-,15+/m0/s1
InChIKeyDPURLFMGBJOYKI-IXDBCEGASA-N
Species of MetaboliteComponentSourceComments
Lactarius repraesentaneus (ncbitaxon:239216) - PubMed (12913310)
ChEBI Ontology
Outgoing Relation(s)
Repraesentin B (CHEBI:223916) is a ketone (CHEBI:17087)
IUPAC Name 
(1R,2S,4S,6S,8S)-4-(hydroxymethyl)-1,4,8-trimethyltricyclo[6.2.1.02,6]undecan-11-one
Manual XrefsDatabases
78438271ChemSpider