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English
Solanocardinol
group of stereoisomers with the chemical formula C₂₇H₄₅NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
431.3399443
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₅NO₃
0 references
canonical SMILES
OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5OC6(O)CC(C)CNC6C(C)C54)C1
0 references
found in taxon
tomato
1 reference
stated in
Lycopersiconol, a pregnane derivative from tomato stock roots
Solanum tetramerum
1 reference
stated in
3-Desamino-3α-hydroxysolanocapsine—a steroidal alkaloid from Solanum aculeatum☆
Identifiers
InChI
InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3
0 references
InChIKey
ZHFCFFSSVSIEIR-UHFFFAOYSA-N
0 references
CAS Registry Number
138665-46-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
73802037
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32015589
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601099375
1 reference
matched by identifier from
InChIKey
InChIKey
ZHFCFFSSVSIEIR-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038836
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZHFCFFSSVSIEIR-UHFFFAOYSA-N
KNApSAcK ID
C00057043
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZHFCFFSSVSIEIR-UHFFFAOYSA-N
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