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(Q105187686)
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English
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
group of stereoisomers with the chemical formula C₂₄H₂₆O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
522.137340892
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₆O₁₃
0 references
canonical SMILES
O=C1C(OC)=C(OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C(O)C12)C=4C=CC(O)=C(OC)C4
0 references
found in taxon
Centaurea jacea
3 references
stated in
Untersuchungen über die Glykoside von Centaurea jacea L., II. Die Struktur des Centaureins und dessen Synthese aus dem Aglucon und Acetobromglucose
stated in
Untersuchungen über die Glykoside von Centaurea jacea L., I. Die Struktur des Jaceins und dessen Synthese aus dem Aglucon und Acetobromglucose
stated in
Two flavonoids and other compounds from the aerial parts of Centaurea bracteata from Italy
Centaurea hyssopifolia
1 reference
stated in
Two flavonoids and other compounds from the aerial parts of Centaurea bracteata from Italy
Identifiers
InChI
InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3
0 references
InChIKey
NYTZRFVFIRTFIX-UHFFFAOYSA-N
0 references
PubChem CID
12304666
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NYTZRFVFIRTFIX-UHFFFAOYSA-N
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