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(Q83026024)
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Quinquangulin-6-glucoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Hydroxy-8-methoxy-2,9-dimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
1 reference
based on heuristic
inferred from SMILES
mass
448.136946968
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₄O₁₀
0 references
canonical SMILES
O=C1C=C(OC2=CC3=C(C(O)=C12)C(OC4OC(CO)C(O)C(O)C4O)=CC(OC)=C3C)C
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isomeric SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C(C=C(C3=C2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)C
0 references
found in taxon
Senna quinquangulata
1 reference
stated in
A new naphthopyrone derivative from Cassia quinquangulata and structural revision of quinquangulin and its glycosides
Identifiers
InChI
InChI=1S/C22H24O10/c1-8-4-11(24)17-13(30-8)5-10-9(2)12(29-3)6-14(16(10)19(17)26)31-22-21(28)20(27)18(25)15(7-23)32-22/h4-6,15,18,20-23,25-28H,7H2,1-3H3/t15-,18-,20+,21-,22-/m1/s1
0 references
InChIKey
LMHFPNXXSGHPCH-BZGGIJSCSA-N
0 references
CAS Registry Number
132922-82-8
0 references
PubChem CID
3035618
0 references
UniChem compound ID
32211287
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70157858
1 reference
matched by identifier from
InChIKey
InChIKey
LMHFPNXXSGHPCH-BZGGIJSCSA-N
DSSTOX compound identifier
DTXCID8080349
0 references
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