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

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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
ChEBI ID CHEBI:69895
Definition A natural product found in Pittocaulon velatum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H29NO4
Net Charge 0
Average Mass 347.44860
Monoisotopic Mass 347.20966
InChI InChI=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
InChIKey CWFCNWIAOJWEMI-AIWDOVQNSA-N
SMILES [H][C@@]12CCC[C@H](C)[C@@]1(C)[C@H](OC(=O)[C@](C)(N)CC)c1c(C)coc1C2=O
Metabolite of Species Details
Pittocaulon velatum (IPNI:238587-1) Found in root (BTO:0001188). Methanol extract of dried and ground stems and roots See: PubMed
Pittocaulon velatum (IPNI:238587-1) Found in stem (BTO:0001300). Methanol extract of dried and ground stems and roots See: PubMed
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.
(via (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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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-isovalinate ChEBI
Citation Waiting for Citations Type Source
21661732 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:naphthofuran(CHEBI:39270); ISA:organooxygen compound(CHEBI:36963); ISA:organonitrogen compound(CHEBI:35352); HFP:alpha-amino acid(CHEBI:33704); ISA:benzofurans(CHEBI:35259); ISA:aromatic ketone(CHEBI:76224); ISA:fatty acid ester(CHEBI:35748); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:alkylamine(CHEBI:13759);