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> Main
CHEBI:67674 - Adenolin D
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ChEBI Ontology
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ChEBI Name
Adenolin D
ChEBI ID
CHEBI:67674
Definition
A natural product found in
Isodon adenolomus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C23H34O7
Net Charge
0
Average Mass
422.51190
Monoisotopic Mass
422.23045
InChI
InChI=1S/C23H34O7/c1-
12(24)
30-
15-
8-
13-
9-
22(18(25)
14(13)
10-
28-
4)
16(15)
21-
7-
5-
6-
20(2,3)
17(21)
19(26)
23(22,27)
29-
11-
21/h13-
17,19,26-
27H,5-
11H2,1-
4H3/t13-
,14+,15+,16-
,17+,19-
,21+,22-
,23+/m0/s1
InChIKey
VVSBOWDVUWUVCK-ZTDGPNIRSA-N
SMILES
[H]
[C@]
12C[C@@H]
(OC(C)
=O)
[C@@]
3([H]
)
[C@]
45CCCC(C)
(C)
[C@@]
4([H]
)
[C@H]
(O)
[C@@]
(O)
(OC5)
[C@]
3(C1)
C(=O)
[C@@H]
2COC
Metabolite of Species
Details
Isodon adenolomus
(NCBI:txid662903)
Found in aerial part
(BTO:0001658)
. 70% aqueous acetone extract of air-dried and powdered aerial parts 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
Adenolin D (
CHEBI:67674
)
has role
metabolite (
CHEBI:25212
)
Adenolin D (
CHEBI:67674
)
is a
kaurane diterpenoid (
CHEBI:53666
)
Citation
Type
Source
21534539
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:oxanes(CHEBI:46942); ISA:ketone(CHEBI:17087); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:hemiacetal(CHEBI:5653); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);