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(Q115948695)
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English
WZXIBMBWCQROBO-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₃₅H₂₆O₂₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
782.096657852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₂₆O₂₁
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canonical SMILES
O=C1OCC2OC(C)C3OC(=O)C4=CC(O)=C(O)C(O)=C4C5=C(O)C(O)=C(O)C=C5C(=O)OC3C2OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C=C17
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found in taxon
Rubus idaeus
1 reference
stated in
Food ellagitannins-occurrence, effects of processing and storage
Juglans
2 references
stated in
Food ellagitannins-occurrence, effects of processing and storage
stated in
Ellagitannins, ellagic acid and vascular health.
Identifiers
InChI
InChI=1S/C35H26O21/c1-7-29-31(56-35(51)11-5-15(39)24(43)28(47)20(11)19-9(33(49)54-29)3-13(37)23(42)27(19)46)30-16(53-7)6-52-32(48)8-2-12(36)21(40)25(44)17(8)18-10(34(50)55-30)4-14(38)22(41)26(18)45/h2-5,7,16,29-31,36-47H,6H2,1H3
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InChIKey
WZXIBMBWCQROBO-UHFFFAOYSA-N
0 references
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