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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:37777 - cimigenol
Main
ChEBI Ontology
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ChEBI Name
cimigenol
ChEBI ID
CHEBI:37777
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H48O5
Net Charge
0
Average Mass
488.69912
Monoisotopic Mass
488.35017
InChI
InChI=1S/C30H48O5/c1-
16-
14-
17-
22(25(4,5)
33)
35-
30(34-
17)
21(16)
26(6)
12-
13-
29-
15-
28(29)
11-
10-
20(31)
24(2,3)
18(28)
8-
9-
19(29)
27(26,7)
23(30)
32/h16-
23,31-
33H,8-
15H2,1-
7H3/t16-
,17-
,18+,19+,20+,21-
,22+,23-
,26-
,27-
,28-
,29+,30+/m1/s1
InChIKey
CNBHUROFMYCHGI-IEUUZZHOSA-N
SMILES
[H]
[C@@]
12C[C@@H]
(C)
[C@]
3([H]
)
[C@@]
4(C)
CC[C@@]
56C[C@@]
55CC[C@H]
(O)
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
ChEBI Ontology
Outgoing
cimigenol (
CHEBI:37777
)
has parent hydride
cycloartane (
CHEBI:37778
)
cimigenol (
CHEBI:37777
)
is a
triterpenoid (
CHEBI:36615
)
Incoming
25-
O
-methoxycimigenol 3-
O
-α-
L
-arabinopyranoside (
CHEBI:66702
)
has functional parent
cimigenol (
CHEBI:37777
)
cimicifoetiside (
CHEBI:37781
)
has functional parent
cimigenol (
CHEBI:37777
)
cimifoetiside A (
CHEBI:65632
)
has functional parent
cimigenol (
CHEBI:37777
)
cimifoetiside B (
CHEBI:65633
)
has functional parent
cimigenol (
CHEBI:37777
)
IUPAC Name
(23
R
,24
S
)-
16β,23:16α,24-
diepoxy-
9β,19-
cyclolanostane-
3β,15α,25-
triol
Manual Xref
Database
C17538
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1356354
Beilstein Registry Number
Beilstein
Last Modified
04 August 2014