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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3471 - Catheduline E2
Main
ChEBI Ontology
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ChEBI Name
Catheduline E2
ChEBI ID
CHEBI:3471
Stars
This entity has been manually annotated by a third party.
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Formula
C38H40N2O11
Net Charge
0
Average Mass
700.732
Monoisotopic Mass
700.26321
InChI
InChI=1S/C38H40N2O11/c1-
22-
17-
29(47-
23(2)
41)
31(48-
24(3)
42)
37(21-
46-
33(43)
26-
13-
9-
15-
39-
19-
26)
32(50-
34(44)
25-
11-
7-
6-
8-
12-
25)
30(28-
18-
38(22,37)
51-
36(28,4)
5)
49-
35(45)
27-
14-
10-
16-
40-
20-
27/h6-
16,19-
20,22,28-
32H,17-
18,21H2,1-
5H3/t22-
,28+,29+,30-
,31+,32+,37+,38+/m1/s1
InChIKey
JNJVNIAUYUVQJX-VIUWVPTDSA-N
SMILES
C[C@@H]
1C[C@H]
(OC(C)
=O)
[C@H]
(OC(C)
=O)
[C@@]
2(COC(=O)
c3cccnc3)
[C@@H]
(OC(=O)
c3ccccc3)
[C@H]
(OC(=O)
c3cccnc3)
[C@@H]
3C[C@]
12OC3(C)
C
ChEBI Ontology
Outgoing
Catheduline E2 (
CHEBI:3471
)
is a
sesquiterpenoid (
CHEBI:26658
)
Synonym
Source
Catheduline E2
KEGG COMPOUND
Manual Xrefs
Databases
C00001967
KNApSAcK
C09935
KEGG COMPOUND
View more database links
Registry Number
Type
Source
61231-06-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014