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(Q105182453)
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English
(2S)-5'-hydroxy-7,3',4'-trimethoxyflavan
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavan
0 references
mass
316.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀O₅
0 references
canonical SMILES
OC=1C=C(C=C(OC)C1OC)C2OC3=CC(OC)=CC=C3CC2
0 references
isomeric SMILES
COc1ccc2c(c1)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2
0 references
found in taxon
Muntingia calabura
1 reference
stated in
Plant anticancer agents, XLVIII. New cytotoxic flavonoids from Muntingia calabura roots
Identifiers
InChI
InChI=1S/C18H20O5/c1-20-13-6-4-11-5-7-15(23-16(11)10-13)12-8-14(19)18(22-3)17(9-12)21-2/h4,6,8-10,15,19H,5,7H2,1-3H3/t15-/m0/s1
0 references
InChIKey
NOBIKWFGKRXGGQ-HNNXBMFYSA-N
0 references
CAS Registry Number
133342-90-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44567045
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NOBIKWFGKRXGGQ-HNNXBMFYSA-N
UniChem compound ID
29835
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101143238
1 reference
matched by identifier from
InChIKey
InChIKey
NOBIKWFGKRXGGQ-HNNXBMFYSA-N
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