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ChEBI
> Main
CHEBI:69659 - Athrolide B
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ChEBI Ontology
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ChEBI Name
Athrolide B
ChEBI ID
CHEBI:69659
Definition
A natural product found in
Athroisma proteiforme
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30O7
Net Charge
0
Average Mass
394.45870
Monoisotopic Mass
394.19915
InChI
InChI=1S/C21H30O7/c1-
9(2)
19(24)
28-
14-
8-
15(26-
12(5)
22)
21(6)
17(14)
10(3)
7-
13-
16(18(21)
23)
11(4)
20(25)
27-
13/h9-
10,13-
18,23H,4,7-
8H2,1-
3,5-
6H3/t10-
,13+,14+,15-
,16-
,17-
,18-
,21-
/m1/s1
InChIKey
BHEXSLGHYNIAGL-WDCRBBJTSA-N
SMILES
[H]
[C@]
12C[C@@H]
(C)
[C@]
3([H]
)
[C@H]
(C[C@@H]
(OC(C)
=O)
[C@@]
3(C)
[C@H]
(O)
[C@]
1([H]
)
C(=C)
C(=O)
O2)
OC(=O)
C(C)
C
Metabolite of Species
Details
Athroisma proteiforme
(IPNI:182889-1)
Found in aerial part
(BTO:0001658)
. Ethyl alcohol extract of dried, ground 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
Athrolide B (
CHEBI:69659
)
has role
metabolite (
CHEBI:25212
)
Athrolide B (
CHEBI:69659
)
is a
sesquiterpene lactone (
CHEBI:37667
)
Synonym
Source
(1S,2S,4R,5R,6R,7S,8S,10R)-2-(2-methylpropanoyloxy)-4-acetoxy-6-hydroxyguai-11(13)-en-8,12-olide
ChEBI
Citation
Type
Source
21995542
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:sesquiterpene lactone(CHEBI:37667); HPH:ambrosane(CHEBI:35712); ISA:sesquiterpenoid(CHEBI:26658); ISA:gamma-lactone(CHEBI:37581); ISA:dicarboxylic acid(CHEBI:35692); ISA:enoate ester(CHEBI:51702); ISA:oxolanes(CHEBI:26912); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);