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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:6989 - Montanin
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ChEBI Ontology
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ChEBI Name
Montanin
ChEBI ID
CHEBI:6989
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C32H48O8
Net Charge
0
Average Mass
560.720
Monoisotopic Mass
560.33492
InChI
InChI=1S/C32H48O8/c1-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
30-
38-
25-
23-
26-
29(18-
33,37-
26)
27(35)
31(36)
22(16-
20(4)
24(31)
34)
32(23,40-
30)
21(5)
17-
28(25,39-
30)
19(2)
3/h16,21-
23,25-
27,33,35-
36H,2,6-
15,17-
18H2,1,3-
5H3/t21-
,22-
,23-
,25-
,26+,27-
,28-
,29+,30?,31-
,32+/m1/s1
InChIKey
SNFRINMTRPQQLE-JQWAAABSSA-N
SMILES
CCCCCCCCCCCC12O[C@@H]
3[C@@H]
4[C@@H]
5O[C@]
5(CO)
[C@@H]
(O)
[C@@]
5(O)
[C@@H]
(C=C(C)
C5=O)
[C@@]
4(O1)
[C@H]
(C)
C[C@@]
3(O2)
C(C)
=C
ChEBI Ontology
Outgoing
Montanin (
CHEBI:6989
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
Montanin
KEGG COMPOUND
Manual Xrefs
Databases
C00003455
KNApSAcK
C09135
KEGG COMPOUND
View more database links
Registry Number
Type
Source
66583-55-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014