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(Q105205912)
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English
1,2,8-trihydroxy-6-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
group of stereoisomers with the chemical formula C₂₁H₂₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
anthrone polyketide
1 reference
inferred from
anthrone polyketide
mass
418.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₉
0 references
canonical SMILES
O=C1C2=C(O)C=C(C=C2C(C3=CC=C(O)C(O)=C13)C4OC(CO)C(O)C(O)C4O)C
0 references
found in taxon
Aloe kedongensis
1 reference
stated in
Anthraquinone, anthrone and phenylpyrone components of Aloe nyeriensis var. kedongensis leaf exudate
Identifiers
InChI
InChI=1S/C21H22O9/c1-7-4-9-13(21-20(29)19(28)17(26)12(6-22)30-21)8-2-3-10(23)16(25)15(8)18(27)14(9)11(24)5-7/h2-5,12-13,17,19-26,28-29H,6H2,1H3
0 references
InChIKey
PCPHLXZWNQEQRB-UHFFFAOYSA-N
0 references
PubChem CID
163060519
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PCPHLXZWNQEQRB-UHFFFAOYSA-N
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