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(Q105193771)
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English
Phenethyl rutinoside
group of stereoisomers with the chemical formula C₂₀H₃₀O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
430.18389716
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₁₀
0 references
canonical SMILES
OC1C(O)C(OCC2OC(OCCC=3C=CC=CC3)C(O)C(O)C2O)OC(C)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/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
0 references
InChIKey
OKUGUNDXBGUFPA-UHFFFAOYSA-N
0 references
PubChem CID
14312558
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OKUGUNDXBGUFPA-UHFFFAOYSA-N
ChEBI ID
167920
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
UniChem compound ID
31996742
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0032622
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OKUGUNDXBGUFPA-UHFFFAOYSA-N
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