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(Q82873412)
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Junceine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
macrolides
0 references
pyrrolizidine alkaloid
0 references
mass
369.178752204
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₇NO₇
0 references
canonical SMILES
O=C1OC2CCN3CC=C(COC(=O)C(O)(CO)C(O)(C)C1C(C)C)C32
0 references
isomeric SMILES
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](O)(CO)[C@]1(C)O)[C@H]23
0 references
found in taxon
Crotalaria rubiginosa
1 reference
stated in
Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968
Identifiers
InChI
InChI=1S/C18H27NO7/c1-10(2)13-15(21)26-12-5-7-19-6-4-11(14(12)19)8-25-16(22)18(24,9-20)17(13,3)23/h4,10,12-14,20,23-24H,5-9H2,1-3H3/t12-,13+,14-,17-,18+/m1/s1
0 references
InChIKey
AAVMGRPGPSSZBQ-FOOXYVKASA-N
0 references
PubChem CID
132472705
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AAVMGRPGPSSZBQ-FOOXYVKASA-N
UniChem compound ID
164459651
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80904173
1 reference
matched by identifier from
InChIKey
InChIKey
AAVMGRPGPSSZBQ-FOOXYVKASA-N
DSSTOX compound identifier
DTXCID601332068
0 references
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