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CHEBI:132795 - lactinolide

ChEBI IDCHEBI:132795
ChEBI Namelactinolide
Stars
DefinitionA monoterpenoid that is hexahydro-1-benzofuran-2-one carrying two methyl substituents at positions 3 and 6 as well as two hydroxy substituents at positions 5 and 6 (the 3R,3aR,5S,6S,7aR-diastereomer).
Last Modified20 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC10H16O4
Net Charge0
Average Mass200.234
Monoisotopic Mass200.10486
SMILES[H][C@@]12C[C@](C)(O)[C@@H](O)C[C@]1([H])[C@@H](C)C(=O)O2
InChIInChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6-,7-,8+,10+/m1/s1
InChIKeyWMRLNPAAXAUOIO-BGJNVIQHSA-N
Species of MetaboliteComponentSourceComments
Paeonia lactiflora (ncbitaxon:35924) root (BTO:0001188) PubMed (27313650)
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)
lactinolide (CHEBI:132795) has role plant metabolite (CHEBI:76924)
lactinolide (CHEBI:132795) is a benzofurans (CHEBI:35259)
lactinolide (CHEBI:132795) is a diol (CHEBI:23824)
lactinolide (CHEBI:132795) is a monoterpenoid (CHEBI:25409)
lactinolide (CHEBI:132795) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3R,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethylhexahydro-1-benzofuran-2(3H)-one
Registry NumbersSources
Reaxys:7703371Reaxys
Citations