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CHEBI:70375 - kamebacetal A
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ChEBI Ontology
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ChEBI Name
kamebacetal A
ChEBI ID
CHEBI:70375
Definition
A natural product found in
Isodon eriocalyx
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30O5
Net Charge
0
Average Mass
362.45990
Monoisotopic Mass
362.20932
InChI
InChI=1S/C21H30O5/c1-
10-
11-
5-
6-
12-
20-
13(19(2,3)
8-
7-
14(20)
22)
9-
15(26-
18(20)
25-
4)
21(12,16(10)
23)
17(11)
24/h11-
15,17-
18,22,24H,1,5-
9H2,2-
4H3/t11-
,12+,13-
,14+,15-
,17-
,18+,20-
,21+/m1/s1
InChIKey
HZXIWBLGRBHNQF-ZVXCJKLWSA-N
SMILES
[H][C@]12CC[C@]3([H])[C@]([C@@H]1O)([C@H]1C[C@]4([H])C(C)(C)CC[C@H](O)[C@@]34[C@@H](OC)O1)C(=O)C2=C
Metabolite of Species
Details
Isodon eriocalyx
(IPNI:448573-1)
Found in aerial part
(BTO:0001658)
. 70% aqueous Me2CO 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
kamebacetal A (
CHEBI:70375
)
has role
metabolite (
CHEBI:25212
)
kamebacetal A (
CHEBI:70375
)
is a
kaurane diterpenoid (
CHEBI:53666
)
Citation
Type
Source
20949916
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:organic hydroxy compound(CHEBI:33822); ISA:ketone(CHEBI:17087); ISA:acetal(CHEBI:59769);