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CHEBI:70383 - coetsin B
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ChEBI Ontology
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ChEBI Name
coetsin B
ChEBI ID
CHEBI:70383
Definition
A natural product found in
Isodon eriocalyx
.
Stars
This entity has been manually annotated by a third party.
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Formula
C24H30O9
Net Charge
0
Average Mass
462.48960
Monoisotopic Mass
462.18898
InChI
InChI=1S/C24H30O9/c1-
12-
15-
7-
16(28)
19-
23(11-
32-
21(30)
24(19,8-
15)
20(12)
29)
6-
5-
18(33-
14(3)
27)
22(4,17(23)
9-
25)
10-
31-
13(2)
26/h9,15-
19,28H,1,5-
8,10-
11H2,2-
4H3/t15-
,16-
,17-
,18+,19+,22+,23+,24+/m1/s1
InChIKey
BAQMGVVHZMKNPB-AULQEXAJSA-N
SMILES
[H]
[C@@]
12C[C@@H]
(O)
[C@@]
3([H]
)
[C@@]
4(CC[C@H]
(OC(C)
=O)
[C@@]
(C)
(COC(C)
=O)
[C@H]
4C=O)
COC(=O)
[C@]
3(C1)
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
coetsin B (
CHEBI:70383
)
has role
metabolite (
CHEBI:25212
)
coetsin B (
CHEBI:70383
)
is a
δ-lactone (
CHEBI:18946
)
Citation
Type
Source
20949916
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);