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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80727 - AK-toxin I
Main
ChEBI Ontology
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ChEBI Name
AK-toxin I
ChEBI ID
CHEBI:80727
Stars
This entity has been manually annotated by a third party.
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Formula
C23H27NO6
Net Charge
0
Average Mass
413.46360
Monoisotopic Mass
413.18384
InChI
InChI=1S/C23H27NO6/c1-
16(18-
11-
7-
6-
8-
12-
18)
21(24-
17(2)
25)
22(28)
30-
19(23(3)
15-
29-
23)
13-
9-
4-
5-
10-
14-
20(26)
27/h4-
14,16,19,21H,15H2,1-
3H3,(H,24,25)
(H,26,27)
/b5-
4-
,13-
9+,14-
10+
InChIKey
HGSOUJPIFSDBKJ-OUYMFVGOSA-N
SMILES
CC(C(NC(C)=O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1)c1ccccc1
ChEBI Ontology
Outgoing
AK-toxin I (
CHEBI:80727
)
is a
organic molecular entity (
CHEBI:50860
)
Manual Xrefs
Databases
C00024781
KNApSAcK
C16787
KEGG COMPOUND
HMDB0030401
HMDB
View more database links
Registry Number
Type
Source
85146-09-4
CAS Registry Number
KEGG COMPOUND