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

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ChEBI Name 3-acetoxylabda-8(20),13-dien-15-oic acid
ChEBI ID CHEBI:69968
Definition A natural product found in Metasequoia glyptostroboides.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H34O4
Net Charge 0
Average Mass 362.50300
Monoisotopic Mass 362.24571
InChI InChI=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
InChIKey OMNJRQNCWHCCBZ-CJPMWSEESA-N
SMILES [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC(OC(C)=O)C2(C)C
Metabolite of Species Details
Metasequoia glyptostroboides (NCBI:txid3371) Found in leaf (BTO:0000713). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed
Metasequoia glyptostroboides (NCBI:txid3371) Found in stem (BTO:0001300). 95% ethanolic extract of air-dried, powdered stems and leaves 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21226514 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);