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(Q82328103)
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Cycloalliin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
177.045964212
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₁NO₃S
0 references
canonical SMILES
O=C(O)C1NC(C)C[S+]([O-])C1
0 references
found in taxon
Allium cepa
1 reference
stated in
Composition of Sulfur-Containing Components in Onion and Their Flavor Characters
Garlic (allium sativum)
1 reference
stated in
Characteristic flavor constituents in water extract of garlic.
Identifiers
InChI
InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
0 references
InChIKey
JYMHODZXTIGVPA-UHFFFAOYSA-N
0 references
CAS Registry Number
15042-85-0
0 references
PubChem CID
12305351
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
173815
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
UniChem compound ID
32010849
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60486725
0 references
DSSTOX compound identifier
DTXCID60437535
0 references
Human Metabolome Database ID
HMDB0029417
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JYMHODZXTIGVPA-UHFFFAOYSA-N
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