CHEBI:66363 - Vitex norditerpenoid 2

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ChEBI Name Vitex norditerpenoid 2
ChEBI ID CHEBI:66363
Definition A natural product found in Vitex trifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H32O4
Net Charge 0
Average Mass 348.47640
Monoisotopic Mass 348.23006
InChI InChI=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
InChIKey DTODGYVUKUZPTH-FWVSRRSQSA-N
SMILES [H][C@@]12[C@@H](C[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C)OC(C)=O
Metabolite of Species Details
Vitex trifolia (NCBI:txid204215) Found in fruit (BTO:0000486). Dried fruits 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 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] acetate ChEBI
Citation Waiting for Citations Type Source
15577254 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enal(CHEBI:51688); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);