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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7883 - PR-toxin
Main
ChEBI Ontology
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ChEBI Name
PR-toxin
ChEBI ID
CHEBI:7883
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C17H20O6
Net Charge
0
Average Mass
320.338
Monoisotopic Mass
320.12599
InChI
InChI=1S/C17H20O6/c1-
8-
12(21-
9(2)
19)
14-
13(22-
14)
10-
5-
11(20)
17(6-
15(8,10)
3)
16(4,7-
18)
23-
17/h5,7-
8,12-
14H,6H2,1-
4H3/t8-
,12+,13-
,14+,15+,16+,17-
/m0/s1
InChIKey
GSPFUBNBRPVALJ-VIEAGMIOSA-N
SMILES
C[C@H]1[C@@H](OC(C)=O)[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]12C)O[C@]3(C)C=O
ChEBI Ontology
Outgoing
PR-toxin (
CHEBI:7883
)
is a
oxacycle (
CHEBI:38104
)
Synonyms
Sources
PR Toxin
KEGG COMPOUND
PR-toxin
KEGG COMPOUND
Manual Xrefs
Databases
C00003176
KNApSAcK
C06079
KEGG COMPOUND
View more database links
Registry Number
Type
Source
56299-00-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014