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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36189 - spirosolane
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ChEBI Ontology
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ChEBI Name
spirosolane
ChEBI ID
CHEBI:36189
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C27H45NO
Net Charge
0
Average Mass
399.65234
Monoisotopic Mass
399.35012
InChI
InChI=1S/C27H45NO/c1-
17-
10-
14-
27(28-
16-
17)
18(2)
24-
23(29-
27)
15-
22-
20-
9-
8-
19-
7-
5-
6-
12-
25(19,3)
21(20)
11-
13-
26(22,24)
4/h17-
24,28H,5-
16H2,1-
4H3/t17?,18-
,19?,20+,21-
,22-
,23-
,24-
,25-
,26-
,27?/m0/s1
InChIKey
KOZCINYDCJVLDW-YOGGMVBGSA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
[C@]
4([H]
)
CCC5CCCC[C@]
5(C)
[C@@]
4([H]
)
CC[C@]
3(C)
[C@@]
1([H]
)
[C@H]
(C)
C1(CCC(C)
CN1)
O2
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
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
spirosolane (
CHEBI:36189
)
is a
alkaloid (
CHEBI:22315
)
spirosolane (
CHEBI:36189
)
is a
azaspiro compound (
CHEBI:35624
)
spirosolane (
CHEBI:36189
)
is a
steroid (
CHEBI:35341
)
spirosolane (
CHEBI:36189
)
is a
steroid alkaloid fundamental parent (
CHEBI:38516
)
Incoming
tomatidane (
CHEBI:36196
)
is a
spirosolane (
CHEBI:36189
)
IUPAC Name
spirosolane
Synonym
Source
tomatanine
CBN
Registry Number
Type
Source
34471-97-1
CAS Registry Number
ChemIDplus
Last Modified
13 April 2011