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CHEBI:69960 - Metaseglyptorin A

Default Structure
ChEBI IDCHEBI:69960
ChEBI NameMetaseglyptorin A
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H54O3
Net Charge0
Average Mass486.781
Monoisotopic Mass486.40730
SMILES[H][C@@]12CC[C@@H](C(C)(C)O)[C@@]3(CCC(=O)O)C[C@]31CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC(CC)C(=C)C
InChIInChI=1S/C32H54O3/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25(28(5,6)35)31(17-15-27(33)34)20-32(26,31)19-18-29(24,30)7/h22-26,35H,2,9-20H2,1,3-8H3,(H,33,34)/t22-,23?,24-,25+,26+,29-,30+,31-,32+/m1/s1
InChIKeyXKNFVOLVUYNREE-JEWLOWAJSA-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)
Metaseglyptorin A (CHEBI:69960) has role metabolite (CHEBI:25212)
Metaseglyptorin A (CHEBI:69960) is a triterpenoid (CHEBI:36615)
Synonym  Source
3,4-secocycloarta-4-hydroxy-24-ethyl-25-en-3-oic acidChEBI
Citations