CHEBI:69961 - Metasequoic acid C, (rel)-

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ChEBI Name Metasequoic acid C, (rel)-
ChEBI ID CHEBI:69961
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 C20H32O3
Net Charge 0
Average Mass 320.46630
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-13(12-18(21)22)6-8-16-14(2)7-9-17-19(16,4)11-10-15(3)20(17,5)23/h12,15-17,23H,2,6-11H2,1,3-5H3,(H,21,22)/b13-12+/t15-,16+,17-,19-,20-/m1/s1
InChIKey KKSRPYFDSRXBHV-PIGWEYSDSA-N
SMILES [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CC[C@@H](C)[C@@]2(C)O
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
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 Metasequoic acid C, (rel)- (CHEBI:69961) has role metabolite (CHEBI:25212)
Metasequoic acid C, (rel)- (CHEBI:69961) is a carbocyclic fatty acid (CHEBI:35744)
Synonym Source
rel-4alpha-hydroxy-methyl-18-(4->3alpha)-abeolabda-8(17),E-13-dien-15-oic acid ChEBI
Citation Waiting for Citations Type Source
21226514 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:medium-chain fatty acid(CHEBI:59554); ISA:methyl-branched fatty acid(CHEBI:62499); ISA:unsaturated fatty acid(CHEBI:27208); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);