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(Q105024444)
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English
16-Hydroxyalstonal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Hydroxy-1',5-dimethyl-2'-oxospiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-6-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
354.157957184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,7S,9S,10S)-2-hydroxy-1',5-dimethyl-2'-oxospiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-6-carbaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₂N₂O₄
0 references
canonical SMILES
O=CC1=C(OCC2(O)C3NC(CC12)C4(C(=O)N(C=5C=CC=CC54)C)C3)C
0 references
isomeric SMILES
CC1=C(C=O)[C@@H]2C[C@H]3N[C@H](C[C@@]34C(=O)N(C)c3ccccc34)[C@]2(O)CO1
0 references
found in taxon
Alstonia macrophylla
1 reference
stated in
New indole alkaloids from Alstonia macrophylla
Identifiers
InChI
InChI=1S/C20H22N2O4/c1-11-12(9-23)14-7-16-19(8-17(21-16)20(14,25)10-26-11)13-5-3-4-6-15(13)22(2)18(19)24/h3-6,9,14,16-17,21,25H,7-8,10H2,1-2H3/t14-,16+,17+,19-,20-/m0/s1
0 references
InChIKey
GZMCRBONSRHEMV-CIJNOWTPSA-N
0 references
PubChem CID
101730880
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
GZMCRBONSRHEMV-CIJNOWTPSA-N
UniChem compound ID
97612106
1 reference
stated in
UniChem
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