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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:15575 - nuatigenin 3-β-
D
-glucopyranoside
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ChEBI Name
nuatigenin 3-β-
D
-glucopyranoside
ChEBI ID
CHEBI:15575
ChEBI ASCII Name
nuatigenin 3-beta-D-glucopyranoside
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10851, CHEBI:18530, CHEBI:175, CHEBI:57420
Supplier Information
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Formula
C33H52O9
Net Charge
0
Average Mass
592.76058
Monoisotopic Mass
592.36113
InChI
InChI=1S/C33H52O9/c1-
17-
25-
23(41-
33(17)
12-
11-
30(2,16-
35)
42-
33)
14-
22-
20-
6-
5-
18-
13-
19(7-
9-
31(18,3)
21(20)
8-
10-
32(22,25)
4)
39-
29-
28(38)
27(37)
26(36)
24(15-
34)
40-
29/h5,17,19-
29,34-
38H,6-
16H2,1-
4H3/t17-
,19-
,20+,21-
,22-
,23-
,24+,25-
,26+,27-
,28+,29+,30-
,31-
,32-
,33-
/m0/s1
InChIKey
QJEQHVALLZCTGC-HPNIRRCESA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
[C@]
4([H]
)
CC=C5C[C@H]
(CC[C@]
5(C)
[C@@]
4([H]
)
CC[C@]
3(C)
[C@@]
1([H]
)
[C@H]
(C)
[C@@]
1(CC[C@@]
(C)
(CO)
O1)
O2)
O[C@@H]
1O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
1O
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.
(via
saponin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nuatigenin 3-β-
D
-glucopyranoside (
CHEBI:15575
)
has functional parent
nuatigenin (
CHEBI:15574
)
nuatigenin 3-β-
D
-glucopyranoside (
CHEBI:15575
)
is a
β-
D
-glucoside (
CHEBI:22798
)
nuatigenin 3-β-
D
-glucopyranoside (
CHEBI:15575
)
is a
monosaccharide derivative (
CHEBI:63367
)
nuatigenin 3-β-
D
-glucopyranoside (
CHEBI:15575
)
is a
steroid saponin (
CHEBI:61655
)
IUPAC Name
(22
S
,25
S
)-
26-
hydroxy-
22,25-
epoxyfurost-
5-
en-
3β-
yl β-
D
-
glucopyranoside
Synonyms
Sources
(20
S
,22
S
,25
S
)-
22,25-
epoxy-
26-
hydroxyfurost-
5-
en-
3β-
yl β-
D
-
glucopyranoside
ChEBI
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
KEGG COMPOUND
nuatigenin 3-β-
D
-glucopyranoside
UniProt
Manual Xref
Database
C04859
KEGG COMPOUND
View more database links
Last Modified
12 April 2013