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(Q104991847)
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English
Scopadonnine
group of stereoisomers with the chemical formula C₃₄H₃₈N₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
tropane alkaloids
1 reference
inferred from
tropane alkaloids
mass
570.272986936
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₃₈N₂O₆
0 references
canonical SMILES
O=C(OC1CC2N(C)C(C1)C3OC32)C4C=5C=CC=CC5C(C(=O)OC6CC7N(C)C(C6)C8OC87)(C=9C=CC=CC9)CC4
0 references
found in taxon
Datura leichhardtii
1 reference
stated in
α- and β-scopodonnines from Datura inoxia seeds
Identifiers
InChI
InChI=1S/C34H38N2O6/c1-35-24-14-19(15-25(35)29-28(24)41-29)39-32(37)22-12-13-34(18-8-4-3-5-9-18,23-11-7-6-10-21(22)23)33(38)40-20-16-26-30-31(42-30)27(17-20)36(26)2/h3-11,19-20,22,24-31H,12-17H2,1-2H3
0 references
InChIKey
DZKBRKKSFHBYIN-UHFFFAOYSA-N
0 references
PubChem CID
3738803
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DZKBRKKSFHBYIN-UHFFFAOYSA-N
UniChem compound ID
61059830
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-CB000056
1 reference
InChIKey
DZKBRKKSFHBYIN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID301350039
1 reference
matched by identifier from
InChIKey
InChIKey
DZKBRKKSFHBYIN-UHFFFAOYSA-N
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