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ChEBI
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CHEBI:69176 - 3,4-seco-sonderianol
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ChEBI Ontology
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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.
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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
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);