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(Q104953310)
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English
Denudanolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(1,3-Benzodioxol-5-yl)-5-methoxy-9-methyl-3-prop-2-enyl-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
1 reference
based on heuristic
inferred from SMILES
mass
356.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀O₆
0 references
canonical SMILES
O=C1OC2(OC)C=C(C(=O)C1C(C3=CC=C4OCOC4=C3)C2C)CC=C
0 references
isomeric SMILES
C=CCC1=C[C@@]2(OC)OC(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C
0 references
found in taxon
Magnolia denudata
2 references
stated in
Bicyclo[3.2.1]octane and 6-oxabicyclo[3.2.2]nonane type neolignans from Magnolia denudata
stated in
Lignan and neolignan derivatives from Magnolia denudata
Identifiers
InChI
InChI=1S/C20H20O6/c1-4-5-13-9-20(23-3)11(2)16(17(18(13)21)19(22)26-20)12-6-7-14-15(8-12)25-10-24-14/h4,6-9,11,16-17H,1,5,10H2,2-3H3/t11-,16+,17-,20-/m1/s1
0 references
InChIKey
CCGXHZFEGSPDIC-GLRCHQFTSA-N
0 references
PubChem CID
10618232
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CCGXHZFEGSPDIC-GLRCHQFTSA-N
UniChem compound ID
34401946
1 reference
stated in
UniChem
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