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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:69237 - pinusolide
Main
ChEBI Ontology
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ChEBI Name
pinusolide
ChEBI ID
CHEBI:69237
Definition
A natural product found in
Biota orientalis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30O4
Net Charge
0
Average Mass
346.46050
Monoisotopic Mass
346.21441
InChI
InChI=1S/C21H30O4/c1-
14-
6-
9-
17-
20(2,11-
5-
12-
21(17,3)
19(23)
24-
4)
16(14)
8-
7-
15-
10-
13-
25-
18(15)
22/h10,16-
17H,1,5-
9,11-
13H2,2-
4H3/t16-
,17+,20+,21-
/m0/s1
InChIKey
WTKBZJAWPZXKJU-NLEAXPPASA-N
SMILES
[H][C@@]12CCC(=C)[C@H](CCC3=CCOC3=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC
Metabolite of Species
Details
Biota orientalis
(IPNI:261739-1)
Found in twig
(BTO:0001411)
. Ethylacetate extract of frozened Cebaye(dried twigs and leaves of Biota orientalis) See:
PubMed
Biota orientalis
(IPNI:261739-1)
Found in leaf
(BTO:0000713)
. Ethylacetate extract of frozened Cebaye(dried twigs and leaves of Biota orientalis) 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
pinusolide (
CHEBI:69237
)
has role
metabolite (
CHEBI:25212
)
pinusolide (
CHEBI:69237
)
is a
diterpene lactone (
CHEBI:49193
)
Synonyms
Sources
1-
Naphthalenecarboxylic acid, 5-
(2-
(2,5-
dihydro-
2-
oxo-
3-
furanyl)ethyl)decahydro-
1,4a-
dimethyl-
6-
methylene-
, methylester, (1S-
(1alpha,4aalpha,5alpha,8abeta))-
ChEBI
Indol-3-carbinol
ChEBI
Registry Number
Type
Source
31685-80-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21793559
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);