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(Q105350783)
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English
CID 179744
group of stereoisomers with the chemical formula C₃₅H₄₆O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
770.263329252
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₄₆O₁₉
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OC(C)C(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5
0 references
found in taxon
Barleria
1 reference
stated in
Iridoid glucosides from Barleria lupulina
Callicarpa macrophylla
1 reference
stated in
A new phenylethanoid glycoside from the fruits of Callicarpa japonica Thunb. var. luxurians Rehd.
Identifiers
InChI
InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3
0 references
InChIKey
YMWRMAOPKNYHMZ-UHFFFAOYSA-N
0 references
PubChem CID
179744
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YMWRMAOPKNYHMZ-UHFFFAOYSA-N
UniChem compound ID
83508373
1 reference
stated in
UniChem
Probes And Drugs ID
PD086980
0 references
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