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(Q104933499)
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English
(13-Ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl) acetate
group of stereoisomers
vomilenine (stereochemistry undefined)
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Statements
instance of
group of stereoisomers
0 references
subclass of
ajmaline alkaloid
1 reference
inferred from
ajmaline alkaloid
mass
350.163042564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂N₂O₃
0 references
canonical SMILES
O=C(OC1C2C3C(=CC)C(O)N4C(C5=NC=6C=CC=CC6C51CC42)C3)C
0 references
found in taxon
Rauvolfia serpentina
2 references
stated in
Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique
stated in
Alcaloïdes Indoliques de Rauvolfia biauriculata
Identifiers
InChI
InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3
0 references
InChIKey
BERYBAUEDCRDKM-UHFFFAOYSA-N
0 references
PubChem CID
4475293
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BERYBAUEDCRDKM-UHFFFAOYSA-N
UniChem compound ID
64240314
1 reference
stated in
UniChem
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