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(Q105024589)
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English
Phenylethanol + Hex-Pen
group of stereoisomers with the chemical formula C₁₉H₂₈O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
416.168247096
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₈O₁₀
0 references
canonical SMILES
OCC1(O)COC(OCC2OC(OCCC=3C=CC=CC3)C(O)C(O)C2O)C1O
0 references
found in taxon
Atractylodes lancea
2 references
stated in
Glycosides of Atractylodes japonica
stated in
Glycosides of Atractylodes lancea
Atractylodes japonica
2 references
stated in
Glycosides of Atractylodes japonica
stated in
Glycosides of Atractylodes lancea
Identifiers
InChI
InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2
0 references
InChIKey
GZSQKOFXMZDKPV-UHFFFAOYSA-N
0 references
PubChem CID
13893574
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GZSQKOFXMZDKPV-UHFFFAOYSA-N
UniChem compound ID
69866720
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309419
1 reference
InChIKey
GZSQKOFXMZDKPV-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
HMDB0303758
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GZSQKOFXMZDKPV-UHFFFAOYSA-N
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