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(Q74412062)
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English
7-deoxyloganetic alcohol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
primary alcohol
0 references
lactol
0 references
mass
184.109944372
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₆O₃
0 references
canonical SMILES
CC1CCC2C(CO)=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=C2CO)O
0 references
Identifiers
InChI
InChI=1S/C10H16O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h5-6,8-12H,2-4H2,1H3/t6-,8+,9+,10+/m0/s1
0 references
InChIKey
HNINLNSOSQUTPL-JZKKDOLYSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
134716707
1 reference
matched by identifier from
InChIKey
InChIKey
HNINLNSOSQUTPL-JZKKDOLYSA-N
ChEBI ID
141988
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H16O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h5-6,8-12H,2-4H2,1H3/t6-,8+,9+,10+/m0/s1
UniChem compound ID
166865452
1 reference
stated in
UniChem
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