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(Q104972000)
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English
9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
group of stereoisomers with the chemical formula C₁₇H₁₆O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
furanocoumarin
1 reference
inferred from
furanocoumarin
mass
364.0794320919999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₆O₉
0 references
canonical SMILES
O=C1OC2=C(OC3OC(CO)C(O)C(O)C3O)C=4OC=CC4C=C2C=C1
0 references
Identifiers
InChI
InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2
0 references
InChIKey
CXQMYXUCGMYFCD-UHFFFAOYSA-N
0 references
PubChem CID
13846551
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CXQMYXUCGMYFCD-UHFFFAOYSA-N
ChEBI ID
169700
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2
UniChem compound ID
31997535
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038626
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CXQMYXUCGMYFCD-UHFFFAOYSA-N
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