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ChEBI
> Main
CHEBI:3940 - Cucurbitacin A
Main
ChEBI Ontology
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ChEBI Name
Cucurbitacin A
ChEBI ID
CHEBI:3940
Stars
This entity has been manually annotated by a third party.
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Formula
C32H46O9
Net Charge
0
Average Mass
574.703
Monoisotopic Mass
574.31418
InChI
InChI=1S/C32H46O9/c1-
17(34)
41-
27(2,3)
12-
11-
23(37)
31(8,40)
25-
21(36)
14-
29(6)
22-
10-
9-
18-
19(13-
20(35)
26(39)
28(18,4)
5)
32(22,16-
33)
24(38)
15-
30(25,29)
7/h9,11-
12,19-
22,25,33,35-
36,40H,10,13-
16H2,1-
8H3/b12-
11+/t19-
,20+,21-
,22+,25+,29+,30-
,31+,32+/m1/s1
InChIKey
IHTCCHVMPGDDSL-IVNGUWCNSA-N
SMILES
CC(=O)
OC(C)
(C)
\C=C\C(=O)
[C@]
(C)
(O)
[C@H]
1[C@H]
(O)
C[C@@]
2(C)
[C@@H]
3CC=C4[C@@H]
(C[C@H]
(O)
C(=O)
C4(C)
C)
[C@]
3(CO)
C(=O)
C[C@]
12C
Roles Classification
Biological Role
(s):
allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
(via
cucurbitacin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Cucurbitacin A (
CHEBI:3940
)
is a
cucurbitacin (
CHEBI:16219
)
Synonym
Source
Cucurbitacin A
KEGG COMPOUND
Manual Xrefs
Databases
C00003682
KNApSAcK
C08793
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6040-19-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014