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CHEBI:69968 - 3-acetoxylabda-8(20),13-dien-15-oic acid

ChEBI IDCHEBI:69968
ChEBI Name3-acetoxylabda-8(20),13-dien-15-oic acid
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILES[H][C@@]12CCC(=C)[C@H](CC/C(C)=C/C(=O)O)[C@@]1(C)CCC(OC(C)=O)C2(C)C
InChIInChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19?,22+/m0/s1
InChIKeyOMNJRQNCWHCCBZ-CJPMWSEESA-N
Species of MetaboliteComponentSourceComments
Metasequoia glyptostroboides (ncbitaxon:3371)
leaf (BTO:0000713) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
stem (BTO:0001300) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
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)
3-acetoxylabda-8(20),13-dien-15-oic acid (CHEBI:69968) has role metabolite (CHEBI:25212)
3-acetoxylabda-8(20),13-dien-15-oic acid (CHEBI:69968) is a diterpenoid (CHEBI:23849)
Citations