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(Q82901936)
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Contortumine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aconitane alkaloid
0 references
mass
511.293388032
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₁NO₆
0 references
canonical SMILES
O=C(OC1C2CC3C1C(O)(CC2OC)C4CC5C6CN(CC)C4C53C(OC)CC6)C7=CC=C(OC)C=C7
0 references
found in taxon
Aconitum contortum
1 reference
stated in
Studies on the Alkaloids from Aconitum contortum (I)
Identifiers
InChI
InChI=1S/C30H41NO6/c1-5-31-15-17-8-11-24(36-4)30-20(17)13-22(27(30)31)29(33)14-23(35-3)19-12-21(30)25(29)26(19)37-28(32)16-6-9-18(34-2)10-7-16/h6-7,9-10,17,19-27,33H,5,8,11-15H2,1-4H3
0 references
InChIKey
AVBUZBLOHGCPMP-UHFFFAOYSA-N
0 references
CAS Registry Number
131653-96-8
0 references
PubChem CID
3081781
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AVBUZBLOHGCPMP-UHFFFAOYSA-N
UniChem compound ID
55502621
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30927312
1 reference
matched by identifier from
InChIKey
InChIKey
AVBUZBLOHGCPMP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301356106
0 references
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