reynosin (CHEBI:540787)

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ChEBI Name	reynosin

ChEBI ID	CHEBI:540787

Definition	A sesquiterpene lactone of the eudesmanolide group, found particularly in Magnolia grandiflora and Laurus nobilis.

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

Secondary ChEBI IDs	CHEBI:66301

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O3

Net Charge

Average Mass

248.31750

Monoisotopic Mass

248.14124

InChI

InChI=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

InChIKey

FKBUODICGDOIGB-PFFFPCNUSA-N

SMILES

[H][C@@]12CC[C@@]3(C)[C@H](O)CCC(=C)[C@]3([H])[C@@]1([H])OC(=O)C2=C

Metabolite of Species	Details
Ambrosia confertiflora (IPNI:11051-2)	See: PubMed
Saussurea lappa (NCBI:txid324593)	See: PubMed
Magnolia grandiflora (NCBI:txid3406)	See: PubMed
Laurus nobilis (NCBI:txid85223)	Found in leaf (BTO:0000713). See: DOI

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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	Sources
(+)-reynosin	ChEBI
(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)-one	ChEBI
(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)-one	ChEBI

Last Modified

24 September 2014