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(Q104913582)
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English
Kaempferol 3-O-(6''-O-acetyl)glucoside
group of stereoisomers with the chemical formula C₂₃H₂₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
490.4145
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₂O₁₂
0 references
canonical SMILES
O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O)C
0 references
Identifiers
InChI
InChI=1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3
0 references
InChIKey
AKENCGNASJPQNR-UHFFFAOYSA-N
0 references
PubChem CID
74978029
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AKENCGNASJPQNR-UHFFFAOYSA-N
ChEBI ID
197087
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3
UniChem compound ID
31999363
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035466
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AKENCGNASJPQNR-UHFFFAOYSA-N
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