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CHEBI:69895 - (R)-((4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl) 2-amino-2-methylbutanoate

ChEBI IDCHEBI:69895
ChEBI Name(R)-((4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl) 2-amino-2-methylbutanoate
Stars
DefinitionA natural product found in Pittocaulon velatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H29NO4
Net Charge0
Average Mass347.455
Monoisotopic Mass347.20966
SMILES[H][C@@]12CCC[C@H](C)[C@@]1(C)[C@H](OC(=O)[C@](C)(N)CC)c1c(C)coc1C2=O
InChIInChI=1S/C20H29NO4/c1-6-19(4,21)18(23)25-17-14-11(2)10-24-16(14)15(22)13-9-7-8-12(3)20(13,17)5/h10,12-13,17H,6-9,21H2,1-5H3/t12-,13-,17+,19+,20+/m0/s1
InChIKeyCWFCNWIAOJWEMI-AIWDOVQNSA-N
Species of MetaboliteComponentSourceComments
Pittocaulon velatum (IPNI:238587-1)
stem (BTO:0001300) PubMed (21661732) Methanol extract of dried and ground stems and roots
root (BTO:0001188) PubMed (21661732) Methanol extract of dried and ground stems and roots
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)
(R)-((4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl) 2-amino-2-methylbutanoate (CHEBI:69895) has role metabolite (CHEBI:25212)
(R)-((4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl) 2-amino-2-methylbutanoate (CHEBI:69895) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
(4S,4aR,5S,8aR)-3,4a,5-Trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl L-isovalinateChEBI
Citations