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(Q105176340)
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English
(3R)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-Hydroxy-2',3',4'-trimethoxyisoflavan
1 reference
based on heuristic
inferred from SMILES
mass
316.13107374
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₀O₅
0 references
canonical SMILES
OC1=CC=C2C(OCC(C3=CC=C(OC)C(OC)=C3OC)C2)=C1
0 references
isomeric SMILES
COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(OC)c1OC
0 references
Identifiers
InChI
InChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3/t12-/m0/s1
0 references
InChIKey
NAIULWLSYSLHJW-LBPRGKRZSA-N
0 references
CAS Registry Number
136027-12-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
15118760
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NAIULWLSYSLHJW-LBPRGKRZSA-N
UniChem compound ID
61511336
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901170350
1 reference
matched by identifier from
InChIKey
InChIKey
NAIULWLSYSLHJW-LBPRGKRZSA-N
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