lactinolide (CHEBI:132795)

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ChEBI Name	lactinolide

ChEBI ID	CHEBI:132795

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C10H16O4

Net Charge

Average Mass

200.232

Monoisotopic Mass

200.10486

InChI

InChI=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

InChIKey

WMRLNPAAXAUOIO-BGJNVIQHSA-N

SMILES

O1[C@]2([C@](C[C@H](O)[C@@](O)(C2)C)([C@H](C1=O)C)[H])[H]

Metabolite of Species	Details
Paeonia lactiflora (NCBI:txid35924)	Found in root (BTO:0001188). See: PubMed

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.

ChEBI Ontology
Outgoing	lactinolide (CHEBI:132795) has role plant metabolite (CHEBI:76924) lactinolide (CHEBI:132795) is a γ-lactone (CHEBI:37581) lactinolide (CHEBI:132795) is a benzofurans (CHEBI:35259) lactinolide (CHEBI:132795) is a diol (CHEBI:23824) lactinolide (CHEBI:132795) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(3R,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethylhexahydro-1-benzofuran-2(3H)-one

Registry Number	Type	Source
7703371	Reaxys Registry Number	Reaxys

Citation	Type	Source
27313650	PubMed citation	Europe PMC

Last Modified

20 January 2017