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(Q105131570)
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English
1-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)ethanone
1 reference
based on heuristic
inferred from SMILES
mass
392.147117728
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₈
0 references
canonical SMILES
O=C(C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C(OC)=C1)C
0 references
isomeric SMILES
COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O
0 references
found in taxon
Echinacea purpurea
2 references
stated in
Structure and accumulation of phenolics in elicited Echinacea purpurea cell cultures
stated in
Biotechnological production of two new 8,4′-oxynorneolignans by elicitation of Echinacea purpurea cell cultures
Identifiers
InChI
InChI=1S/C20H24O8/c1-11(22)13-8-16(26-3)20(17(9-13)27-4)28-18(10-21)19(24)12-5-6-14(23)15(7-12)25-2/h5-9,18-19,21,23-24H,10H2,1-4H3/t18-,19+/m0/s1
0 references
InChIKey
JMORGSSZTVVOFT-RBUKOAKNSA-N
0 references
PubChem CID
162971396
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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