CHEBI:69176 - 3,4-seco-sonderianol

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ChEBI Name 3,4-seco-sonderianol
ChEBI ID CHEBI:69176
Definition A natural product found in Trigonostemon heterophyllus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O3
Net Charge 0
Average Mass 328.44520
Monoisotopic Mass 328.20384
InChI InChI=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
InChIKey CXOXYGZFBDGZJN-DYESRHJHSA-N
SMILES [H][C@@]1(CCc2c(C=C)c(C)c(O)cc2[C@]1(C)CCC(=O)OC)C(C)=C
Metabolite of Species Details
Trigonostemon heterophyllus (IPNI:358015-1) Found in twig (BTO:0001411). 95% EtOH extract of powdered and air-dried twigs 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 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]propanoate ChEBI
Citation Waiting for Citations Type Source
22122667 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxytoluene(CHEBI:24751); ISA:styrenes(CHEBI:26799); ISA:toluenes(CHEBI:27024); ISA:fatty acid ester(CHEBI:35748); ISA:carboxylic ester(CHEBI:33308); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);