CHEBI:76849 - 7-deoxyloganetin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-deoxyloganetin
ChEBI ID CHEBI:76849
Definition An iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C11H16O4
Net Charge 0
Average Mass 212.24230
Monoisotopic Mass 212.10486
InChI InChI=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
InChIKey GGFAHFSRIITJIJ-NONSRLQASA-N
SMILES COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)CC[C@H]12
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
7-deoxyloganetin UniProt
methyl 7-deoxyloganetate ChEBI
Registry Number Type Source
1286137 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21799001 PubMed citation Europe PMC
24104568 PubMed citation SUBMITTER
Last Modified
03 March 2015