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CHEBI:69894 - (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 isobutyrate

ChEBI IDCHEBI:69894
ChEBI Name(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 isobutyrate
Stars
DefinitionA natural product found in Pittocaulon velatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILES[H][C@@]12CCC[C@H](C)[C@@]1(C)[C@H](OC(=O)C(C)C)c1c(C)coc1C2=O
InChIInChI=1S/C19H26O4/c1-10(2)18(21)23-17-14-11(3)9-22-16(14)15(20)13-8-6-7-12(4)19(13,17)5/h9-10,12-13,17H,6-8H2,1-5H3/t12-,13-,17+,19+/m0/s1
InChIKeyQCRWAFVWZAWSSH-CLKWJJAWSA-N
Species of MetaboliteComponentSourceComments
Pittocaulon velatum (IPNI:238587-1)
root (BTO:0001188) PubMed (21661732) Methanol extract of dried and ground stems and roots
stem (BTO:0001300) 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)
(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 isobutyrate (CHEBI:69894) has role metabolite (CHEBI:25212)
(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 isobutyrate (CHEBI:69894) is a sesquiterpenoid (CHEBI:26658)
Citations