CHEBI:187744 - (-)-Merulidial

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ChEBI Name (-)-Merulidial
ChEBI ID CHEBI:187744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H20O3
Net Charge 0
Average Mass 248.322
Monoisotopic Mass 248.14124
InChI InChI=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
InChIKey NFLNZGQBGCPDMT-WCUVEOEZSA-N
SMILES O[C@@H]1[C@]2([C@](C2)(C(=C3[C@]1(CC(C3)(C)C)[H])C=O)C=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-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 Xref Database
102980 ChemSpider
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Registry Number Type Source
68053-32-7 CAS Registry Number ChemIDplus