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(Q105204364)
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English
(+)-Lyoniresinol 9-glucoside
group of stereoisomers with the chemical formula C₂₈H₃₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
582.2312412759998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₈O₁₃
0 references
canonical SMILES
OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(COC4OC(CO)C(O)C(O)C4O)C2CO
0 references
Identifiers
InChI
InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3
0 references
InChIKey
PACBNJFGEWTGCE-UHFFFAOYSA-N
0 references
PubChem CID
74256819
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PACBNJFGEWTGCE-UHFFFAOYSA-N
ChEBI ID
191589
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3
UniChem compound ID
31999560
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041148
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PACBNJFGEWTGCE-UHFFFAOYSA-N
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