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CHEBI:66662 - 6α-malonyloxymanoyl oxide
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ChEBI Name
6α-malonyloxymanoyl oxide
ChEBI ID
CHEBI:66662
ChEBI ASCII Name
6alpha-malonyloxymanoyl oxide
Definition
The malonate ester of a labdane diterpenoid. Isolated from the aerial parts of
Stemodia foliosa
, it exhibits antibacterial activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H36O5
Net Charge
0
Average Mass
392.52890
Monoisotopic Mass
392.25627
InChI
InChI=1S/C23H36O5/c1-
7-
21(4)
12-
9-
16-
22(5)
11-
8-
10-
20(2,3)
19(22)
15(14-
23(16,6)
28-
21)
27-
18(26)
13-
17(24)
25/h7,15-
16,19H,1,8-
14H2,2-
6H3,(H,24,25)
/t15-
,16+,19-
,21-
,22+,23+/m0/s1
InChIKey
JZRGFUZJIZSKTF-ALFLKXBZSA-N
SMILES
[H][C@]12CC[C@@](C)(O[C@]1(C)C[C@H](OC(=O)CC(O)=O)[C@@]1([H])C(C)(C)CCC[C@]21C)C=C
Metabolite of Species
Details
Stemodia foliosa
(IPNI:244396-2)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Roles Classification
Biological Role
(s):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
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
6α-malonyloxymanoyl oxide (
CHEBI:66662
)
has role
antibacterial agent (
CHEBI:33282
)
6α-malonyloxymanoyl oxide (
CHEBI:66662
)
has role
metabolite (
CHEBI:25212
)
6α-malonyloxymanoyl oxide (
CHEBI:66662
)
is a
cyclic ether (
CHEBI:37407
)
6α-malonyloxymanoyl oxide (
CHEBI:66662
)
is a
labdane diterpenoid (
CHEBI:36770
)
6α-malonyloxymanoyl oxide (
CHEBI:66662
)
is a
malonate ester (
CHEBI:38083
)
IUPAC Name
3-
{[(3
R
,4a
R
,6
S
,6a
S
,10a
S
,10b
R
)-
3-
ethenyl-
3,4a,7,7,10a-
pentamethyldodecahydro-
1
H
-
benzo[
f
]chromen-
6-
yl]oxy}-
3-
oxopropanoic acid
Registry Number
Type
Source
19154464
Reaxys Registry Number
Reaxys
Citation
Type
Source
18582112
PubMed citation
Europe PMC
Last Modified
03 April 2013