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CHEBI:540787 - reynosin

ChEBI IDCHEBI:540787
ChEBI Namereynosin
Stars
DefinitionA sesquiterpene lactone of the eudesmanolide group, found particularly in Magnolia grandiflora and Laurus nobilis.
Secondary ChEBI IDCHEBI:66301
Last Modified24 September 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])CC[C@@]1(C)[C@H](O)CCC(=C)[C@]21[H]
InChIInChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12+,13-,15-/m0/s1
InChIKeyFKBUODICGDOIGB-PFFFPCNUSA-N
Species of MetaboliteComponentSourceComments
Magnolia grandiflora (ncbitaxon:3406) - PubMed (9690347)
Ambrosia confertiflora (IPNI:11051-2) - PubMed (9690347)
Saussurea lappa (ncbitaxon:324593) - PubMed (9690347)
Laurus nobilis (ncbitaxon:85223) leaf (BTO:0000713) DOI (10.1016/j.foodchem.2004.10.029)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
reynosin (CHEBI:540787) has role metabolite (CHEBI:25212)
reynosin (CHEBI:540787) is a organic heterotricyclic compound (CHEBI:26979)
reynosin (CHEBI:540787) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-3,9-bis(methylene)decahydronaphtho[1,2-b]furan-2(3H)-one
Synonyms  Source
(+)-reynosinChEBI
(3aS,9aβ,9bα)-3a,4,5,5a,6,7,8,9,9a,9b-decahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-oneChEBI
(3aS)-3a,4,5,5a,6,7,8,9,9aβ,9bα-decahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-oneChEBI
Registry NumbersSources
Reaxys:1621245Reaxys
CAS:28254-53-7ChemIDplus
Citations