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CHEBI:141988 - 7-deoxyloganetic alcohol

ChEBI IDCHEBI:141988
ChEBI Name7-deoxyloganetic alcohol
Stars
DefinitionA cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a hydroxymethyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
Last Modified14 September 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILES[H][C@]12[C@H](O)OC=C(CO)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C10H16O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h5-6,8-12H,2-4H2,1H3/t6-,8+,9+,10+/m0/s1
InChIKeyHNINLNSOSQUTPL-JZKKDOLYSA-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-deoxyloganetic alcohol (CHEBI:141988) has functional parent 7-deoxyloganetic acid (CHEBI:77027)
7-deoxyloganetic alcohol (CHEBI:141988) has role plant metabolite (CHEBI:76924)
7-deoxyloganetic alcohol (CHEBI:141988) is a cyclopentapyran (CHEBI:38606)
7-deoxyloganetic alcohol (CHEBI:141988) is a iridoid monoterpenoid (CHEBI:50563)
7-deoxyloganetic alcohol (CHEBI:141988) is a lactol (CHEBI:38131)
7-deoxyloganetic alcohol (CHEBI:141988) is a primary alcohol (CHEBI:15734)
IUPAC Name 
(1R,4aS,7S,7aR)-4-(hydroxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
Synonym  Source
7-deoxyloganetolMetaCyc
UniProt Name  Source
7-deoxyloganetic alcoholUniProt
Manual XrefsDatabases
CPD-21280MetaCyc
Citations