Annotation Hits
N
Screening or library annotations
Compound
Benzoylecgonine
NSID
NS00108407
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
InChIKey
GVGYEFKIHJTNQZ-RFQIPJPRSA-N
CAS Number
519-09-5
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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Patent stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).