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CHEBI:76849 - 7-deoxyloganetin

ChEBI IDCHEBI:76849
ChEBI Name7-deoxyloganetin
Stars
DefinitionAn iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid.
Last Modified3 March 2015
SubmitterKAX
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILES[H][C@]12[C@H](O)OC=C(C(=O)OC)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1
InChIKeyGGFAHFSRIITJIJ-NONSRLQASA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
7-deoxyloganetin (CHEBI:76849) has functional parent 7-deoxyloganetic acid (CHEBI:77027)
7-deoxyloganetin (CHEBI:76849) has role plant metabolite (CHEBI:76924)
7-deoxyloganetin (CHEBI:76849) is a cyclopentapyran (CHEBI:38606)
7-deoxyloganetin (CHEBI:76849) is a iridoid monoterpenoid (CHEBI:50563)
7-deoxyloganetin (CHEBI:76849) is a lactol (CHEBI:38131)
7-deoxyloganetin (CHEBI:76849) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (1S,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Synonym  Source
methyl 7-deoxyloganetateChEBI
UniProt Name  Source
7-deoxyloganetinUniProt
Registry NumbersSources
Reaxys:1286137Reaxys
Citations