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(Q72507171)
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English
Scopoletin acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₁₂H₁₀O₅
0 references
canonical SMILES
COc1cc2ccc(=O)oc2cc1OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
0 references
InChIKey
HYCLWDHZALFLJV-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
56795-51-8
0 references
ChEBI ID
174194
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
Human Metabolome Database ID
HMDB0034345
1 reference
matched by identifier from
InChIKey
InChIKey
HYCLWDHZALFLJV-UHFFFAOYSA-N
KNApSAcK ID
C00054087
1 reference
matched by identifier from
InChIKey
InChIKey
HYCLWDHZALFLJV-UHFFFAOYSA-N
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