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(Q105312582)
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English
Erythrozeylanine B
group of stereoisomers with the chemical formula C₁₇H₂₁NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
tropane alkaloids
1 reference
inferred from
tropane alkaloids
mass
271.157228912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁NO₂
0 references
canonical SMILES
O=C(OC1CC2N(C)C(CC2)C1)C=CC=3C=CC=CC3
0 references
isomeric SMILES
CN1[C@H]2CC[C@@H]1CC(OC(=O)/C=C\c1ccccc1)C2
0 references
found in taxon
Erythroxylum coca
1 reference
stated in
Lesser alkaloids of cocaine-bearing plants II. 3-Oxo-substituted tropane esters: detection and mass spectral characterization of minor alkaloids found in South American Erythroxylum coca var. coca
Identifiers
InChI
InChI=1S/C17H21NO2/c1-18-14-8-9-15(18)12-16(11-14)20-17(19)10-7-13-5-3-2-4-6-13/h2-7,10,14-16H,8-9,11-12H2,1H3/b10-7-/t14-,15+,16?
0 references
InChIKey
WTIWQHQPUWFUPX-ZDNLYPJASA-N
0 references
PubChem CID
10945555
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTIWQHQPUWFUPX-ZDNLYPJASA-N
UniChem compound ID
58347452
1 reference
stated in
UniChem
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