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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5977 - Isatidine
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ChEBI Ontology
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ChEBI Name
Isatidine
ChEBI ID
CHEBI:5977
Stars
This entity has been manually annotated by a third party.
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Formula
C18H25NO7
Net Charge
0
Average Mass
367.394
Monoisotopic Mass
367.16310
InChI
InChI=1S/C18H25NO7/c1-
3-
12-
8-
11(2)
18(23,10-
20)
17(22)
25-
9-
13-
4-
6-
19(24)
7-
5-
14(15(13)
19)
26-
16(12)
21/h3-
4,11,14-
15,20,23H,5-
10H2,1-
2H3/b12-
3-
/t11-
,14-
,15-
,18-
,19?/m1/s1
InChIKey
IDIMIWQPUHURPV-WTWIWYCDSA-N
SMILES
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing
Isatidine (
CHEBI:5977
)
is a
citraconoyl group (
CHEBI:23315
)
Synonyms
Sources
Isatidine
KEGG COMPOUND
Retrorsine N-oxide
KEGG COMPOUND
Manual Xrefs
Databases
C00002094
KNApSAcK
C10333
KEGG COMPOUND
View more database links
Registry Number
Type
Source
15503-86-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014