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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4381 - Delcosine
Main
ChEBI Ontology
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ChEBI Name
Delcosine
ChEBI ID
CHEBI:4381
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C24H39NO7
Net Charge
0
Average Mass
453.570
Monoisotopic Mass
453.27265
InChI
InChI=1S/C24H39NO7/c1-
5-
25-
10-
21(11-
30-
2)
7-
6-
15(26)
23-
13-
8-
12-
14(31-
3)
9-
22(28,16(13)
17(12)
27)
24(29,20(23)
25)
19(32-
4)
18(21)
23/h12-
20,26-
29H,5-
11H2,1-
4H3/t12-
,13-
,14+,15+,16-
,17+,18-
,19+,20?,21+,22-
,23+,24-
/m1/s1
InChIKey
BMZNJVXOLCBDPZ-AXCJZLSHSA-N
SMILES
CCN1C[C@]
2(COC)
CC[C@H]
(O)
[C@@]
34[C@@H]
5C[C@H]
6[C@H]
(O)
[C@@H]
5[C@]
(O)
(C[C@@H]
6OC)
[C@@]
(O)
([C@@H]
(OC)
[C@H]
23)
C14
ChEBI Ontology
Outgoing
Delcosine (
CHEBI:4381
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
Delcosine
KEGG COMPOUND
Manual Xrefs
Databases
C00001632
KNApSAcK
C08676
KEGG COMPOUND
View more database links
Registry Number
Type
Source
545-56-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014