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(Q105208647)
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English
[5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-sulfooxychromen-7-yl] hydrogen sulfate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavone
0 references
mass
475.971932444
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₂O₁₃S₂
0 references
canonical SMILES
O=C1C(OS(=O)(=O)O)=C(OC2=CC(OS(=O)(=O)O)=CC(O)=C12)C=3C=CC(OC)=C(O)C3
0 references
found in taxon
Reaumuria vermiculata
1 reference
stated in
Cytotoxic ellagitannins from Reaumuria vermiculata.
Identifiers
InChI
InChI=1S/C16H12O13S2/c1-26-11-3-2-7(4-9(11)17)15-16(29-31(23,24)25)14(19)13-10(18)5-8(6-12(13)27-15)28-30(20,21)22/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)
0 references
InChIKey
PGSYMGVPRBHBAV-UHFFFAOYSA-N
0 references
PubChem CID
14016796
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64523545
1 reference
stated in
UniChem
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