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CHEBI:69176 - 3,4-seco-sonderianol

Default Structure
ChEBI IDCHEBI:69176
ChEBI Name3,4-seco-sonderianol
Stars
DefinitionA natural product found in Trigonostemon heterophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILES[H][C@]1(C(=C)C)CCc2c(cc(O)c(C)c2C=C)[C@]1(C)CCC(=O)OC
InChIInChI=1S/C21H28O3/c1-7-15-14(4)19(22)12-18-16(15)8-9-17(13(2)3)21(18,5)11-10-20(23)24-6/h7,12,17,22H,1-2,8-11H2,3-6H3/t17-,21-/m1/s1
InChIKeyCXOXYGZFBDGZJN-DYESRHJHSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon heterophyllus (IPNI:358015-1) twig (BTO:0001411) PubMed (22122667) 95% EtOH extract of powdered and air-dried twigs
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)
3,4-seco-sonderianol (CHEBI:69176) has role metabolite (CHEBI:25212)
3,4-seco-sonderianol (CHEBI:69176) is a tetralins (CHEBI:36786)
Synonym  Source
methyl 3-[(1R,2R)-5-ethenyl-7-hydroxy-1,6-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoateChEBI
Citations