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(Q104402970)
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Guayadequiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-hydroxyoxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
386.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₇
0 references
canonical SMILES
O=C1OCC(CC2=CC=C3OCOC3=C2)C1(O)CC4=CC=C(OC)C(OC)=C4
0 references
isomeric SMILES
COc1ccc(C[C@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC
0 references
found in taxon
Bupleurum salicifolium
4 references
stated in
Structural elucidation and conformational analysis of new lignan butenolides from the leaves of bupleurum salicifolium.
stated in
Antibiotic activity and absolute configuation of 8S-heptadeca-2(Z),9(Z)-diene-4,6-diyne-1,8-diol from Bupleurum salicifolium
stated in
Busaliol and Busalicifol, Two New Tetrahydrofuran Lignans from Bupleurum salicifolium
stated in
Three lignans from Bupleurum salicifolium
Identifiers
InChI
InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)10-21(23)15(11-26-20(21)22)7-13-3-6-17-19(8-13)28-12-27-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21+/m0/s1
0 references
InChIKey
XQAPIFWFLMEZDZ-YCRPNKLZSA-N
0 references
PubChem CID
14630578
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97655643
1 reference
stated in
UniChem
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