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(Q82951478)
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Gentianal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
193.073893212
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₁NO₃
0 references
canonical SMILES
O=CC=1C(O)=NC=C2C1CCOC2C
0 references
found in taxon
Gentiana rigescens
1 reference
stated in
Chemical constituents of Gentiana rhodantha
Identifiers
InChI
InChI=1S/C10H11NO3/c1-6-8-4-11-10(13)9(5-12)7(8)2-3-14-6/h4-6H,2-3H2,1H3,(H,11,13)
0 references
InChIKey
SPQNWNGKRKIZFD-UHFFFAOYSA-N
0 references
CAS Registry Number
53848-05-8
0 references
PubChem CID
171304
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SPQNWNGKRKIZFD-UHFFFAOYSA-N
UniChem compound ID
43210110
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10968622
1 reference
matched by identifier from
InChIKey
InChIKey
SPQNWNGKRKIZFD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID201396195
0 references
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