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English
Butyl (S)-3-hydroxybutyrate glucoside
group of stereoisomers with the chemical formula C₁₄H₂₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
322.16276779199995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₂₆O₈
0 references
canonical SMILES
O=C(OCCCC)CC(OC1OC(CO)C(O)C(O)C1O)C
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Identifiers
InChI
InChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3
0 references
InChIKey
YUPCLHHTUNDMAN-UHFFFAOYSA-N
0 references
PubChem CID
76463851
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YUPCLHHTUNDMAN-UHFFFAOYSA-N
ChEBI ID
167975
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3
UniChem compound ID
32003425
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309337
1 reference
InChIKey
YUPCLHHTUNDMAN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0031694
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YUPCLHHTUNDMAN-UHFFFAOYSA-N
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