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> Main
CHEBI:67658 - Isoadenolin G, (rel)-
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ChEBI Name
Isoadenolin G, (rel)-
ChEBI ID
CHEBI:67658
Definition
A natural product found in
Isodon adenolomus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C23H34O8
Net Charge
0
Average Mass
438.51130
Monoisotopic Mass
438.22537
InChI
InChI=1S/C23H34O8/c1-
10-
12-
9-
13(30-
11(2)
24)
14-
21-
8-
6-
7-
20(3,4)
15(21)
18(27)
23(28,31-
19(21)
29-
5)
22(14,16(10)
25)
17(12)
26/h12-
19,25-
28H,1,6-
9H2,2-
5H3/t12-
,13+,14+,15-
,16-
,17-
,18+,19+,21-
,22+,23+/m1/s1
InChIKey
ZXTOBFVGAFEONZ-MJBJSSGESA-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)
(O[C@@H]
5OC)
[C@@]
3([C@H]
(O)
C1=C)
[C@@H]
2O
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
Isoadenolin G, (rel)- (
CHEBI:67658
)
has role
metabolite (
CHEBI:25212
)
Isoadenolin G, (rel)- (
CHEBI:67658
)
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:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:hemiacetal(CHEBI:5653); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);