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> Main
CHEBI:70246 - Cimigenol 3-O-beta-D-xylopyranoside
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ChEBI Ontology
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ChEBI Name
Cimigenol 3-O-beta-D-xylopyranoside
ChEBI ID
CHEBI:70246
Definition
A natural product found in
Actaea racemosa
.
Stars
This entity has been manually annotated by a third party.
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Formula
C35H56O9
Net Charge
0
Average Mass
620.81370
Monoisotopic Mass
620.39243
InChI
InChI=1S/C35H56O9/c1-
17-
14-
19-
26(30(4,5)
40)
44-
35(43-
19)
25(17)
31(6)
12-
13-
34-
16-
33(34)
11-
10-
22(42-
27-
24(38)
23(37)
18(36)
15-
41-
27)
29(2,3)
20(33)
8-
9-
21(34)
32(31,7)
28(35)
39/h17-
28,36-
40H,8-
16H2,1-
7H3/t17-
,18-
,19-
,20+,21+,22+,23+,24-
,25-
,26+,27+,28-
,31-
,32-
,33-
,34+,35+/m1/s1
InChIKey
BTPYUWOBZFGKAI-XYGBCAHESA-N
SMILES
[H]
[C@@]
12C[C@@H]
(C)
[C@]
3([H]
)
[C@@]
4(C)
CC[C@@]
56C[C@@]
55CC[C@H]
(O[C@]
7([H]
)
OC[C@@H]
(O)
[C@H]
(O)
[C@H]
7O)
C(C)
(C)
[C@]
5([H]
)
CC[C@@]
6([H]
)
[C@]
4(C)
[C@@H]
(O)
[C@]
3(O[C@@H]
1C(C)
(C)
O)
O2
Metabolite of Species
Details
Actaea racemosa
(NCBI:txid64040)
Found in rhizome
(BTO:0001181)
. Methanolic extract of dried, ground rhizomes 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.
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
Cimigenol 3-O-beta-D-xylopyranoside (
CHEBI:70246
)
has role
metabolite (
CHEBI:25212
)
Cimigenol 3-O-beta-D-xylopyranoside (
CHEBI:70246
)
is a
cucurbitacin (
CHEBI:16219
)
Cimigenol 3-O-beta-D-xylopyranoside (
CHEBI:70246
)
is a
glycoside (
CHEBI:24400
)
Citation
Type
Source
21082802
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:hydroxy steroid(CHEBI:35350); ISA:disaccharide(CHEBI:36233); ISA:glycoside(CHEBI:24400); ISA:oxacycle(CHEBI:38104); ISA:oxanes(CHEBI:46942); ISA:dioxolane(CHEBI:39430); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769);