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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80718 - Oscillatoxin A
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ChEBI Ontology
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ChEBI Name
Oscillatoxin A
ChEBI ID
CHEBI:80718
Stars
This entity has been manually annotated by a third party.
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Formula
C31H46O10
Net Charge
0
Average Mass
578.69090
Monoisotopic Mass
578.30910
InChI
InChI=1S/C31H46O10/c1-
18(10-
11-
24(37-
6)
21-
8-
7-
9-
22(33)
12-
21)
28-
20(3)
25-
15-
31(40-
28)
29(4,5)
14-
19(2)
30(36,41-
31)
16-
27(35)
38-
23(17-
32)
13-
26(34)
39-
25/h7-
9,12,18-
20,23-
25,28,32-
33,36H,10-
11,13-
17H2,1-
6H3/t18-
,19+,20-
,23+,24-
,25?,28+,30-
,31-
/m0/s1
InChIKey
GKTXURNRIDXUNG-IYYTYHDMSA-N
SMILES
CO[C@@H]
(CC[C@H]
(C)
[C@H]
1O[C@@]
23CC(OC(=O)
C[C@H]
(CO)
OC(=O)
C[C@]
(O)
(O2)
[C@H]
(C)
CC3(C)
C)
[C@@H]
1C)
c1cccc(O)
c1
ChEBI Ontology
Outgoing
Oscillatoxin A (
CHEBI:80718
)
is a
macrolide (
CHEBI:25106
)
Manual Xref
Database
C16771
KEGG COMPOUND
View more database links
Registry Number
Type
Source
66671-95-2
CAS Registry Number
KEGG COMPOUND