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English
Lappaol A
group of stereoisomers with the chemical formula C₃₀H₃₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
mass
536.204632604
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₃₂O₉
0 references
canonical SMILES
O=C1OCC(CC2=CC(OC)=C3OC(C4=CC=C(O)C(OC)=C4)C(C3=C2)CO)C1CC5=CC=C(O)C(OC)=C5
0 references
found in taxon
Arctium lappa
2 references
stated in
New Sesquilignans fromArctium lappaL. The Structure of Lappaol C, D and E
stated in
New sesquilignans from Arctium lappa L. The structure of lappaol C, D and E.
Arctium
1 reference
stated in
Lappaol A and B, novel lignans from Arctium lappa L
Cousinia
1 reference
stated in
Lappaol A and B, novel lignans from Arctium lappa L
Identifiers
InChI
InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3
0 references
InChIKey
PYLYQTVVQXPBIJ-UHFFFAOYSA-N
0 references
PubChem CID
323894
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PYLYQTVVQXPBIJ-UHFFFAOYSA-N
UniChem compound ID
55622772
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20977886
1 reference
matched by identifier from
InChIKey
InChIKey
PYLYQTVVQXPBIJ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0301812
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PYLYQTVVQXPBIJ-UHFFFAOYSA-N
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