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(Q115947003)
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English
2-(3,4-dihydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
group of stereoisomers with the chemical formula C₂₇H₃₄O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
614.184685008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₄O₁₆
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canonical SMILES
OC1=CC=C(C=C1O)C2OC3=C(C(O)=C(C(O)=C3C4OC(CO)C(O)C(O)C4O)C5OC(CO)C(O)C(O)C5O)CC2O
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found in taxon
broad bean
1 reference
stated in
UHPLC-ESI-QTOF-MS-based metabolic profiling of Vicia faba L. (Fabaceae) seeds as a key strategy for characterization in foodomics
Identifiers
InChI
InChI=1S/C27H34O16/c28-5-12-17(34)20(37)22(39)26(41-12)14-16(33)8-4-11(32)24(7-1-2-9(30)10(31)3-7)43-25(8)15(19(14)36)27-23(40)21(38)18(35)13(6-29)42-27/h1-3,11-13,17-18,20-24,26-40H,4-6H2
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InChIKey
SPRRLZMLCKUCLC-UHFFFAOYSA-N
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PubChem CID
24872052
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
34616195
1 reference
stated in
UniChem
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