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(Q104995442)
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English
(2S,3R)-2-(4-Hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
330.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Ficusal
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₈O₆
0 references
canonical SMILES
O=CC=1C=C(OC)C=2OC(C3=CC=C(O)C(OC)=C3)C(C2C1)CO
0 references
isomeric SMILES
COc1cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@@H]2CO)ccc1O
0 references
found in taxon
Vitex agnus-castus
1 reference
stated in
Phytoconstituents from Vitex agnus-castus fruits
Identifiers
InChI
InChI=1S/C18H18O6/c1-22-15-7-11(3-4-14(15)21)17-13(9-20)12-5-10(8-19)6-16(23-2)18(12)24-17/h3-8,13,17,20-21H,9H2,1-2H3/t13-,17+/m0/s1
0 references
InChIKey
FHRVWMUANLCTEE-SUMWQHHRSA-N
0 references
PubChem CID
71591633
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FHRVWMUANLCTEE-SUMWQHHRSA-N
UniChem compound ID
47548399
1 reference
stated in
UniChem
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