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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:9361 - Supinine
Main
ChEBI Ontology
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ChEBI Name
Supinine
ChEBI ID
CHEBI:9361
Stars
This entity has been manually annotated by a third party.
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Formula
C15H25NO4
Net Charge
0
Average Mass
283.364
Monoisotopic Mass
283.17836
InChI
InChI=1S/C15H25NO4/c1-
10(2)
15(19,11(3)
17)
14(18)
20-
9-
12-
6-
8-
16-
7-
4-
5-
13(12)
16/h6,10-
11,13,17,19H,4-
5,7-
9H2,1-
3H3/t11-
,13+,15+/m1/s1
InChIKey
DRVWTOSBCBKXOR-ZLDLUXBVSA-N
SMILES
CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12
ChEBI Ontology
Outgoing
Supinine (
CHEBI:9361
)
is a
pyrrolizines (
CHEBI:38522
)
Synonyms
Sources
Butanoic acid, 2,3-
dihydroxy-
2-
(1-
methylethyl)-
, (2,3,5,7a-
tetrahydro-
1H-
pyrrolizin-
7-
yl)methyl ester, (7aS-
(7(2R*,3S*),7aR*))-
KEGG COMPOUND
Supinine
KEGG COMPOUND
Manual Xrefs
Databases
C00002121
KNApSAcK
C10403
KEGG COMPOUND
View more database links
Registry Number
Type
Source
551-58-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014