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(Q105149854)
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English
(1'x,2S)-2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 2'-glucoside
group of stereoisomers with the chemical formula C₂₀H₂₄O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
furanocoumarin
1 reference
inferred from
furanocoumarin
mass
424.1369469679998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₄O₁₀
0 references
canonical SMILES
O=C1OC=2C=C3OC(CC3=CC2C=C1)C(O)(C)COC4OC(CO)C(O)C(O)C4O
0 references
Identifiers
InChI
InChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3
0 references
InChIKey
LCIXUGGPLIEEGU-UHFFFAOYSA-N
0 references
PubChem CID
131752523
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LCIXUGGPLIEEGU-UHFFFAOYSA-N
ChEBI ID
176058
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3
UniChem compound ID
31999762
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039038
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LCIXUGGPLIEEGU-UHFFFAOYSA-N
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