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(Q82944786)
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Isocytisoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isocytisoside
1 reference
based on heuristic
inferred from SMILES
5,7-Dihydroxy-2-(4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
1 reference
based on heuristic
inferred from SMILES
mass
446.121296904
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₂O₁₀
0 references
canonical SMILES
O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3O)C=4C=CC(OC)=CC4
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isomeric SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
0 references
found in taxon
Citrullus colocynthis
1 reference
stated in
Bioactive saponins and glycosides. XXVII. Structures of new cucurbitane-type triterpene glycosides and antiallergic constituents from Citrullus colocynthis
Aquilegia ballii
1 reference
stated in
Antioxidant activity of isocytisoside and extracts of Aquilegia vulgaris.
Identifiers
InChI
InChI=1S/C22H22O10/c1-30-10-4-2-9(3-5-10)13-6-11(24)16-14(31-13)7-12(25)17(19(16)27)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-23,25-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1
0 references
InChIKey
AQHMJUSCGYYXRM-DGHBBABESA-N
0 references
CAS Registry Number
4328-19-2
0 references
PubChem CID
160749
1 reference
matched by identifier from
InChIKey
InChIKey
AQHMJUSCGYYXRM-DGHBBABESA-N
UniChem compound ID
60021233
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50962982
1 reference
matched by identifier from
InChIKey
InChIKey
AQHMJUSCGYYXRM-DGHBBABESA-N
DSSTOX compound identifier
DTXCID101390756
0 references
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