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(Q104936453)
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English
CID 5318098
group of stereoisomers with the chemical formula C₁₉H₂₂N₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
gelsedine-type alkaloid
1 reference
inferred from
gelsedine-type alkaloid
mass
326.163042564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂N₂O₃
0 references
canonical SMILES
O=C1N(OC)C=2C=CC=CC2C13CC4N=C(CC)C5CC3OCC45
0 references
found in taxon
Gelsemium elegans
1 reference
stated in
Isolation of Gelsedine-Type Indole Alkaloids from Gelsemium elegans and Evaluation of the Cytotoxic Activity of Gelsemium Alkaloids for A431 Epidermoid Carcinoma Cells
Identifiers
InChI
InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3
0 references
InChIKey
BIGABVPVCRHEES-UHFFFAOYSA-N
0 references
PubChem CID
5318098
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BIGABVPVCRHEES-UHFFFAOYSA-N
UniChem compound ID
34068559
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310452
1 reference
InChIKey
BIGABVPVCRHEES-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0252667
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BIGABVPVCRHEES-UHFFFAOYSA-N
Probes And Drugs ID
PD087282
0 references
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