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CHEBI:66363 - Vitex norditerpenoid 2

ChEBI IDCHEBI:66363
ChEBI NameVitex norditerpenoid 2
Stars
DefinitionA natural product found in Vitex trifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILES[H][C@@]12[C@H](OC(C)=O)C[C@@H](C)[C@]3(CC/C(=C\C=O)O3)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C21H32O4/c1-14-13-17(24-15(2)23)18-19(3,4)9-6-10-20(18,5)21(14)11-7-16(25-21)8-12-22/h8,12,14,17-18H,6-7,9-11,13H2,1-5H3/b16-8+/t14-,17-,18+,20+,21-/m1/s1
InChIKeyDTODGYVUKUZPTH-FWVSRRSQSA-N
Species of MetaboliteComponentSourceComments
Vitex trifolia (ncbitaxon:204215) fruit (BTO:0000486) PubMed (15577254) Dried fruits
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)
Vitex norditerpenoid 2 (CHEBI:66363) has role metabolite (CHEBI:25212)
Vitex norditerpenoid 2 (CHEBI:66363) is a oxolanes (CHEBI:26912)
Synonym  Source
[(1R,3R,4R,4aS,5'E,8aS)-3,4a,8,8-tetramethyl-5'-(2-oxoethylidene)spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetateChEBI
Citations