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(Q105284002)
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English
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
group of stereoisomers with the chemical formula C₁₂H₂₂O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
342.11621152399994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₂O₁₁
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O
0 references
found in taxon
Heteropogon contortus
1 reference
stated in
Polysaccharides of tropical pasture herbage. VI. Identification of myo-inositol, galactinol, and raffinose in spear grass (Heteropogon contortus)
Identifiers
InChI
InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2
0 references
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
0 references
CAS Registry Number
4539-73-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
107148
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
ChEBI ID
182028
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2
UniChem compound ID
25959384
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS119701
1 reference
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS119703
1 reference
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS119708
1 reference
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT211970
1 reference
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS119702
1 reference
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS119707
1 reference
InChIKey
VCWMRQDBPZKXKG-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
HMDB0039876
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VCWMRQDBPZKXKG-UHFFFAOYSA-N
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