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(Q105240016)
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English
[5-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₁H₄₀O₁₅
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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
652.23672058
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₀O₁₅
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(OC)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(OC)=C4
0 references
found in taxon
Verbascum wiedemannianum
1 reference
stated in
Wiedemanniosides A-E: new phenylethanoid glycosides from the roots of Verbascum wiedemannianum.
Scrophularia buergeriana
1 reference
stated in
Phenylpropanoid glycosides from Scrophularia ningpoensis
Scrophularia nodosa
1 reference
stated in
Phenylpropanoid glycosides from Scrophularia ningpoensis
Newbouldia laevis
1 reference
stated in
A naphthoquinone from Newbouldia laevis roots
Identifiers
InChI
InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-19(34)21(13-17)41-3)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)20(12-16)40-2/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3
0 references
InChIKey
RLGRBYHBNWLGER-UHFFFAOYSA-N
0 references
PubChem CID
569171
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RLGRBYHBNWLGER-UHFFFAOYSA-N
UniChem compound ID
69924568
1 reference
stated in
UniChem
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