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CHEBI:191231 - (2s,4s)-Alpha-Campholinic Acid

ChEBI IDCHEBI:191231
ChEBI Name(2s,4s)-Alpha-Campholinic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESC[C@@H]1C(=O)C[C@@H](CC(O)O)C1(C)C
InChIInChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyKAXFPJKKGITBPU-RQJHMYQMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
(2s,4s)-Alpha-Campholinic Acid (CHEBI:191231) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentan-1-one
Manual XrefsDatabases
4450169ChemSpider
CAXPDBeChem
DB02906DrugBank