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(Q104909631)
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English
(E)-3-[(2S,3S)-2-(Hydroxymethyl)-3-(3,4,5-trimethoxyphenyl)-8-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl]propenal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[5-Hydroxy-3-(hydroxymethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]prop-2-enal
1 reference
based on heuristic
inferred from SMILES
mass
402.131467664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₈
0 references
canonical SMILES
O=CC=CC1=CC(O)=C2OC(CO)C(OC2=C1)C3=CC(OC)=C(OC)C(OC)=C3
0 references
isomeric SMILES
COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(O)c3O[C@H]2CO)cc(OC)c1OC
0 references
found in taxon
Zanthoxylum avicennae
1 reference
stated in
Neolignans, a coumarinolignan, lignan derivatives, and a chromene: anti-inflammatory constituents from Zanthoxylum avicennae
Identifiers
InChI
InChI=1S/C21H22O8/c1-25-15-9-13(10-16(26-2)21(15)27-3)19-18(11-23)29-20-14(24)7-12(5-4-6-22)8-17(20)28-19/h4-10,18-19,23-24H,11H2,1-3H3/b5-4+/t18-,19-/m0/s1
0 references
InChIKey
ADJSJZWPHSSENG-OJBOGMDESA-N
0 references
PubChem CID
24800018
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ADJSJZWPHSSENG-OJBOGMDESA-N
UniChem compound ID
595229
1 reference
stated in
UniChem
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