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(Q104957505)
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English
3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
group of stereoisomers with the chemical formula C₁₇H₁₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chromanone
1 reference
inferred from
chromanone
mass
316.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₆O₆
0 references
canonical SMILES
O=C1C2=C(O)C(OC)=C(O)C=C2OCC1CC3=CC=C(O)C=C3
0 references
Identifiers
InChI
InChI=1S/C17H16O6/c1-22-17-12(19)7-13-14(16(17)21)15(20)10(8-23-13)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3
0 references
InChIKey
CGCVUMRAPMFWDT-UHFFFAOYSA-N
0 references
PubChem CID
404572
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CGCVUMRAPMFWDT-UHFFFAOYSA-N
UniChem compound ID
27243022
1 reference
stated in
UniChem
NMRShiftDB structure ID
10017723
1 reference
matched by identifier from
InChIKey
InChIKey
CGCVUMRAPMFWDT-UHFFFAOYSA-N
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