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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3852 - Condelphine
Main
ChEBI Ontology
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ChEBI Name
Condelphine
ChEBI ID
CHEBI:3852
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C25H39NO6
Net Charge
0
Average Mass
449.581
Monoisotopic Mass
449.27774
InChI
InChI=1S/C25H39NO6/c1-
5-
26-
11-
23(12-
30-
3)
7-
6-
19(28)
25-
15-
8-
14-
17(31-
4)
10-
24(29,16(22(25)
26)
9-
18(23)
25)
20(15)
21(14)
32-
13(2)
27/h14-
22,28-
29H,5-
12H2,1-
4H3/t14-
,15-
,16+,17+,18-
,19+,20-
,21+,22?,23+,24+,25-
/m1/s1
InChIKey
ZEBMMHUDQRRILP-WZSMAATHSA-N
SMILES
CCN1C[C@]
2(COC)
CC[C@H]
(O)
[C@@]
34[C@@H]
5C[C@H]
6[C@H]
(OC(C)
=O)
[C@@H]
5[C@]
(O)
(C[C@@H]
6OC)
[C@@H]
(C[C@H]
23)
C14
ChEBI Ontology
Outgoing
Condelphine (
CHEBI:3852
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
Condelphine
KEGG COMPOUND
Manual Xrefs
Databases
C00001627
KNApSAcK
C08671
KEGG COMPOUND
View more database links
Registry Number
Type
Source
7633-69-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014