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(Q104402230)
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English
Heleurine N-oxide
group of stereoisomers with the chemical formula C₁₆H₂₇NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
mass
313.188922964
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₇NO₅
0 references
canonical SMILES
O=C(OCC1=CC[N+]2([O-])CCCC12)C(O)(C(OC)C)C(C)C
0 references
isomeric SMILES
CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CCC[C@@H]12)C(C)C
0 references
found in taxon
Heliotropium hirsutissimum
1 reference
stated in
Pyrrolizidine N-oxide alkaloids of Heliotropium hirsutissimum
Heliotropium disciforme
1 reference
stated in
Pyrrolizidine alkaloids from Heliotropium bovei
Identifiers
InChI
InChI=1S/C16H27NO5/c1-11(2)16(19,12(3)21-4)15(18)22-10-13-7-9-17(20)8-5-6-14(13)17/h7,11-12,14,19H,5-6,8-10H2,1-4H3/t12-,14+,16-,17?/m1/s1
0 references
InChIKey
JOPJYQKWCBEYGN-NOCHINKJSA-N
0 references
PubChem CID
102122200
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JOPJYQKWCBEYGN-NOCHINKJSA-N
UniChem compound ID
96624804
1 reference
stated in
UniChem
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