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(Q104390937)
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English
Rhein 8-Glucoside
group of stereoisomers with the chemical formula C₂₁H₁₈O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
446.0849113959997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₁₈O₁₁
0 references
canonical SMILES
O=C(O)C1=CC(O)=C2C(=O)C=3C(OC4OC(CO)C(O)C(O)C4O)=CC=CC3C(=O)C2=C1
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Identifiers
InChI
InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)
0 references
InChIKey
WYKUTTFFZMQCGO-UHFFFAOYSA-N
0 references
PubChem CID
14345558
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WYKUTTFFZMQCGO-UHFFFAOYSA-N
UniChem compound ID
32002946
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0032877
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WYKUTTFFZMQCGO-UHFFFAOYSA-N
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