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CHEBI:69237 - pinusolide

ChEBI IDCHEBI:69237
ChEBI Namepinusolide
Stars
DefinitionA natural product found in Biota orientalis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC(=C)[C@H](CCC3=CCOC3=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC
InChIInChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1
InChIKeyWTKBZJAWPZXKJU-NLEAXPPASA-N
Species of MetaboliteComponentSourceComments
Biota orientalis (IPNI:261739-1)
twig (BTO:0001411) PubMed (21793559) Ethylacetate extract of frozened Cebaye(dried twigs and leaves of Biota orientalis)
leaf (BTO:0000713) PubMed (21793559) Ethylacetate extract of frozened Cebaye(dried twigs and leaves of Biota orientalis)
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)
pinusolide (CHEBI:69237) has role metabolite (CHEBI:25212)
pinusolide (CHEBI:69237) is a diterpene lactone (CHEBI:49193)
Synonyms  Source
1-Naphthalenecarboxylic acid, 5-(2-(2,5-dihydro-2-oxo-3-furanyl)ethyl)decahydro-1,4a-dimethyl-6-methylene-, methylester, (1S-(1alpha,4aalpha,5alpha,8abeta))-ChEBI
Indol-3-carbinolChEBI
Registry NumbersSources
CAS:31685-80-0ChemIDplus
Citations