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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4380 - Delcorine
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ChEBI Ontology
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ChEBI Name
Delcorine
ChEBI ID
CHEBI:4380
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C26H41NO7
Net Charge
0
Average Mass
479.607
Monoisotopic Mass
479.28830
InChI
InChI=1S/C26H41NO7/c1-
6-
27-
11-
23(12-
29-
2)
8-
7-
17(31-
4)
25-
15-
9-
14-
16(30-
3)
10-
24(18(15)
19(14)
32-
5)
26(22(25)
27,34-
13-
33-
24)
21(28)
20(23)
25/h14-
22,28H,6-
13H2,1-
5H3/t14-
,15-
,16+,17+,18-
,19+,20-
,21+,22?,23+,24-
,25+,26-
/m1/s1
InChIKey
XTLROSDJDZHIIK-VIGIWSGCSA-N
SMILES
CCN1C[C@]
2(COC)
CC[C@H]
(OC)
[C@@]
34[C@@H]
5C[C@H]
6[C@H]
(OC)
[C@@H]
5[C@@]
5(C[C@@H]
6OC)
OCO[C@]
5([C@@H]
(O)
[C@H]
23)
C14
ChEBI Ontology
Outgoing
Delcorine (
CHEBI:4380
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
Delcorine
KEGG COMPOUND
Manual Xrefs
Databases
C00001631
KNApSAcK
C08675
KEGG COMPOUND
View more database links
Registry Number
Type
Source
52358-55-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014