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ChEBI
> Main
CHEBI:67660 - Isoadenolin I, (rel)-
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ChEBI Ontology
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ChEBI Name
Isoadenolin I, (rel)-
ChEBI ID
CHEBI:67660
Definition
A natural product found in
Isodon adenolomus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H28O6
Net Charge
0
Average Mass
388.45410
Monoisotopic Mass
388.18859
InChI
InChI=1S/C22H28O6/c1-
11-
13-
5-
6-
14-
20-
10-
27-
22(26,21(14,9-
13)
17(11)
24)
18(25)
16(20)
19(3,4)
8-
7-
15(20)
28-
12(2)
23/h6,13,15-
16,18,25-
26H,1,5,7-
10H2,2-
4H3/t13-
,15-
,16+,18-
,20+,21-
,22-
/m0/s1
InChIKey
YANOCUIQFVTZFB-KTAPYFENSA-N
SMILES
[H][C@]12CC=C3[C@@]45CO[C@@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C1)C(=O)C2=C
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 I, (rel)- (
CHEBI:67660
)
has role
metabolite (
CHEBI:25212
)
Isoadenolin I, (rel)- (
CHEBI:67660
)
is a
kaurane diterpenoid (
CHEBI:53666
)
Synonym
Source
rel-1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-dien-15-one
ChEBI
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:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);