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(Q104968961)
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English
8,12,18-Trihydroxy-4-methyl-11,16-dioxosenecionanium
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
382.18602865609
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₈NO₇⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1OC2CC[N+]3(C)CC=C(COC(=O)C(O)(CO)C(C)CC1=CC)C23O
0 references
isomeric SMILES
C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC1=O)[C@@]23O
0 references
found in taxon
Packera anonyma
1 reference
stated in
Macrocyclic pyrrolizidine alkaloids from Senecio anonymus. Separation of a complex alkaloid extract using droplet counter-current chromatography
Senecio laricifolius
1 reference
stated in
Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species
Identifiers
InChI
InChI=1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20+/m1/s1
0 references
InChIKey
CRWHRMSWJOLABX-OIMJGDGPSA-N
0 references
PubChem CID
76957522
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRWHRMSWJOLABX-OIMJGDGPSA-N
UniChem compound ID
80019376
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301020072
1 reference
matched by identifier from
InChIKey
InChIKey
CRWHRMSWJOLABX-OIMJGDGPSA-N
UNII
6OQV6HU6GI
1 reference
matched by identifier from
InChIKey
InChIKey
CRWHRMSWJOLABX-OIMJGDGPSA-N
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