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

ChEBI IDCHEBI:69961
ChEBI NameMetasequoic acid C, (rel)-
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
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
InChIInChI=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
InChIKeyKKSRPYFDSRXBHV-PIGWEYSDSA-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
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
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 acidChEBI
Citations