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ChEBI
> Main
CHEBI:65531 - 15-
O
-propionylbruceolide
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ChEBI Name
15-
O
-propionylbruceolide
ChEBI ID
CHEBI:65531
ChEBI ASCII Name
15-O-propionylbruceolide
Definition
A quassinoid that is the 15-
O
-propionyl derivative of bruceolide. It has been isolated from
Brucea javanica
and
Brucea sumatrana
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H30O11
Net Charge
0
Average Mass
494.48840
Monoisotopic Mass
494.17881
InChI
InChI=1S/C24H30O11/c1-
5-
13(26)
35-
16-
18-
23-
8-
33-
24(18,21(31)
32-
4)
19(29)
15(28)
17(23)
22(3)
7-
11(25)
14(27)
9(2)
10(22)
6-
12(23)
34-
20(16)
30/h10,12,15-
19,27-
29H,5-
8H2,1-
4H3/t10-
,12+,15+,16+,17+,18+,19-
,22-
,23+,24+/m0/s1
InChIKey
JMNCUIIGFZOUJI-URHSRZJXSA-N
SMILES
CCC(=O)
O[C@@H]
1[C@@H]
2[C@@]
34CO[C@]
2([C@@H]
(O)
[C@H]
(O)
[C@@H]
3[C@@]
2(C)
CC(=O)
C(O)
=C(C)
[C@@H]
2C[C@H]
4OC1=O)
C(=O)
OC
Metabolite of Species
Details
Brucea sumatrana
(IPNI:813620-1)
See: DUOC HOC, 1979,4,15
Brucea javanica
(NCBI:txid210348)
Found in fruit
(BTO:0000486)
. See:
DOI
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
15-
O
-propionylbruceolide (
CHEBI:65531
)
has functional parent
bruceolide (
CHEBI:65529
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
has role
plant metabolite (
CHEBI:76924
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
δ-lactone (
CHEBI:18946
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
cyclic ether (
CHEBI:37407
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
enol (
CHEBI:33823
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
enone (
CHEBI:51689
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
methyl ester (
CHEBI:25248
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
propanoate ester (
CHEBI:36243
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
quassinoid (
CHEBI:72485
)
15-
O
-propionylbruceolide (
CHEBI:65531
)
is a
triol (
CHEBI:27136
)
IUPAC Name
methyl (11β,12α,15β)-
3,11,12-
trihydroxy-
2,16-
dioxo-
15-
(propanoyloxy)-
13,20-
epoxypicras-
3-
en-
21-
oate
Last Modified
27 May 2015
General Comment
2012-07-27
DUOC HOC, 1979,4,15