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> Main
CHEBI:69660 - Athrolide C, (rel)-
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ChEBI Name
Athrolide C, (rel)-
ChEBI ID
CHEBI:69660
Definition
A natural product found in
Athroisma proteiforme
.
Stars
This entity has been manually annotated by a third party.
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Formula
C25H32O8
Net Charge
0
Average Mass
460.51680
Monoisotopic Mass
460.20972
InChI
InChI=1S/C25H32O8/c1-
8-
12(2)
22(28)
33-
21-
18-
14(4)
23(29)
32-
19(20(18)
31-
17(27)
11-
24(5,6)
30)
13(3)
15-
9-
10-
16(26)
25(15,21)
7/h8-
10,13,15,18-
21,30H,4,11H2,1-
3,5-
7H3/b12-
8-
/t13-
,15-
,18+,19+,20-
,21-
,25-
/m0/s1
InChIKey
BJUHMHABNCTBSM-TZDXKJQASA-N
SMILES
[H]
[C@]
12OC(=O)
C(=C)
[C@]
([H]
)
([C@@H]
1OC(=O)
CC(C)
(C)
O)
[C@H]
(OC(=O)
C(\C)
=C/C)
[C@]
1(C)
C(=O)
C=C[C@@]
1([H]
)
[C@@H]
2C
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 C, (rel)- (
CHEBI:69660
)
has role
metabolite (
CHEBI:25212
)
Athrolide C, (rel)- (
CHEBI:69660
)
is a
carbonyl compound (
CHEBI:36586
)
Synonym
Source
rel-
1S,7R,10(H)R-
4-
oxo-
6S-
[(Z)-
2-
methyl-
2-
butenoyloxy]-
8S-
(3-
hydroxy-
3-
methyl-
butanoyloxy)pseudoguaia-
2(3),11-
(13)-
dien-
9R,12-
olide
ChEBI
Citation
Type
Source
21995542
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:delta-lactone(CHEBI:18946); ISA:fatty acid ester(CHEBI:35748); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:ketone(CHEBI:17087); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);