CHEBI:69237 - pinusolide

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ChEBI Name pinusolide
ChEBI ID CHEBI:69237
Definition A natural product found in Biota orientalis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30O4
Net Charge 0
Average Mass 346.46050
Monoisotopic Mass 346.21441
InChI InChI=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
InChIKey WTKBZJAWPZXKJU-NLEAXPPASA-N
SMILES [H][C@@]12CCC(=C)[C@H](CCC3=CCOC3=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC
Metabolite of Species Details
Biota orientalis (IPNI:261739-1) Found in twig (BTO:0001411). Ethylacetate extract of frozened Cebaye(dried twigs and leaves of Biota orientalis) See: PubMed
Biota orientalis (IPNI:261739-1) Found in leaf (BTO:0000713). Ethylacetate extract of frozened Cebaye(dried twigs and leaves of Biota orientalis) 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 pinusolide (CHEBI:69237) has role metabolite (CHEBI:25212)
pinusolide (CHEBI:69237) is a diterpene lactone (CHEBI:49193)
Synonyms Sources
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-carbinol ChEBI
Registry Number Type Source
31685-80-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21793559 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);