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ChEBI
> Main
CHEBI:70237 - Argutin F
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ChEBI Ontology
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ChEBI Name
Argutin F
ChEBI ID
CHEBI:70237
Definition
A natural product found in
Casearia arguta
.
Stars
This entity has been manually annotated by a third party.
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Formula
C34H48O10
Net Charge
0
Average Mass
616.73890
Monoisotopic Mass
616.32475
InChI
InChI=1S/C34H48O10/c1-
8-
10-
11-
12-
13-
14-
15-
16-
30(38)
42-
25-
18-
26-
31(40-
23(5)
35)
43-
32(41-
24(6)
36)
34(26)
28(19-
25)
33(7,22(4)
17-
29(34)
37)
20-
27(44-
39)
21(3)
9-
2/h9,13-
16,18,22,25,27-
29,31-
32,37,39H,2-
3,8,10-
12,17,19-
20H2,1,4-
7H3/b14-
13+,16-
15-
/t22-
,25+,27+,28+,29+,31+,32-
,33-
,34-
/m1/s1
InChIKey
HXZWRWDSAJYAQI-NLYZPZRZSA-N
SMILES
[H]
[C@@]
12C[C@@H]
(OC(=O)
\C=C/C=C/CCCCC)
C=C3[C@H]
(O[C@@H]
(OC(C)
=O)
[C@@]
13[C@@H]
(O)
C[C@@H]
(C)
[C@@]
2(C)
C[C@H]
(OO)
C(=C)
C=C)
OC(C)
=O
Metabolite of Species
Details
Casearia arguta
(NCBI:txid1125347)
Found in leaf
(BTO:0000713)
. Combined extract of DCM/MeOH (1:1) and methanol 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
Argutin F (
CHEBI:70237
)
has role
metabolite (
CHEBI:25212
)
Argutin F (
CHEBI:70237
)
is a
naphthofuran (
CHEBI:39270
)
Synonym
Source
(2R,5S,6S,8R,9R,10S,12S,18R,19S)-
18,19-
diacetoxy-
18,19-
epoxy-
2-
[(2'Z,4'E)-
decadienoyloxy]6-
hydroxy-
12-
hydroperoxycleroda-
3,13(16),14-
triene
ChEBI
Citation
Type
Source
21067210
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:peroxol(CHEBI:35924); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);