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CHEBI:187744 - (-)-Merulidial

ChEBI IDCHEBI:187744
ChEBI Name(-)-Merulidial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12CC(C)(C)CC1=C(C=O)[C@@]1(C=O)C[C@@]1(C)[C@H]2O
InChIInChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3/t10-,12+,14+,15+/m1/s1
InChIKeyNFLNZGQBGCPDMT-WCUVEOEZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(-)-Merulidial (CHEBI:187744) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1aR,5aR,6S,6aR)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[]indene-1a,2-dicarbaldehyde
Manual XrefsDatabases
102980ChemSpider
Registry NumbersSources
CAS:68053-32-7ChemIDplus