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(Q105244200)
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English
brucine
group of stereoisomers with the chemical formula C₂₃H₂₆N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
strychnidine alkaloid
1 reference
inferred from
strychnidine alkaloid
mass
394.189257312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₆N₂O₄
0 references
canonical SMILES
O=C1N2C3=CC(OC)=C(OC)C=C3C45CCN6CC7=CCOC(C1)C(C7CC64)C25
0 references
found in taxon
Strychnos ignatia
1 reference
stated in
A quinic acid ester from Strychnos lucida
Strychnos aculeata
1 reference
stated in
A quinic acid ester from Strychnos lucida
Strychnos nux-vomica
1 reference
stated in
A quinic acid ester from Strychnos lucida
Identifiers
InChI
InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3
0 references
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
0 references
PubChem CID
220520
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
UniChem compound ID
22637542
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML00398
1 reference
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00412
1 reference
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00426
1 reference
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML80845
1 reference
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML80847
1 reference
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
NMRShiftDB structure ID
20042191
1 reference
matched by identifier from
InChIKey
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
DSSTox substance ID
DTXSID10859344
1 reference
matched by identifier from
InChIKey
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0249406
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RRKTZKIUPZVBMF-UHFFFAOYSA-N
Probes And Drugs ID
PD055159
0 references
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