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(Q105225398)
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English
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
group of stereoisomers with the chemical formula C₂₁H₂₀O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
448.1005614599997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₁₁
0 references
canonical SMILES
O=C1C(O)=C(OC2=CC(OC3OC(C)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(O)=C(O)C4
0 references
Identifiers
InChI
InChI=1S/C21H20O11/c1-7-15(25)17(27)19(29)21(30-7)31-9-5-12(24)14-13(6-9)32-20(18(28)16(14)26)8-2-3-10(22)11(23)4-8/h2-7,15,17,19,21-25,27-29H,1H3
0 references
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
0 references
PubChem CID
14130919
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
UniChem compound ID
76249229
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS117001
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS117003
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS117006
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS117008
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT111700
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT211700
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS117002
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS117004
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS117007
1 reference
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0257019
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QPHXPNUXTNHJOF-UHFFFAOYSA-N
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