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(Q74418056)
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English
7-deoxyloganetic aldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aldehydes
0 references
lactol
0 references
mass
182.094294308
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R)-1,4aalpha,5,6,7,7aalpha-Hexahydro-1alpha-hydroxy-7beta-methylcyclopenta[c]pyran-4-carbaldehyde
1 reference
based on heuristic
inferred from InChIKey
chemical formula
C₁₀H₁₄O₃
0 references
canonical SMILES
CC1CCC2C(C=O)=COC(O)C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C=O)O
0 references
Identifiers
InChI
InChI=1S/C10H14O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h4-6,8-10,12H,2-3H2,1H3/t6-,8+,9+,10+/m0/s1
0 references
InChIKey
VWIYAPDYXJYDDI-JZKKDOLYSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
90659211
1 reference
matched by identifier from
InChIKey
InChIKey
VWIYAPDYXJYDDI-JZKKDOLYSA-N
ChEBI ID
141989
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h4-6,8-10,12H,2-3H2,1H3/t6-,8+,9+,10+/m0/s1
UniChem compound ID
100136934
1 reference
stated in
UniChem
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