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(Q104375697)
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Cynaustraline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
Trachelanthamine
1 reference
based on heuristic
inferred from SMILES
mass
285.194008344
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl ester, (2R,3S)-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Heliocoromandaline
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3R)-((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Lindelofine
1 reference
based on heuristic
inferred from InChI
viridiflorine
1 reference
based on heuristic
inferred from InChI
Heliocurassavicine
1 reference
based on heuristic
inferred from InChI
coromandaline
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₇NO₄
0 references
canonical SMILES
O=C(OCC1CCN2CCCC21)C(O)(C(O)C)C(C)C
0 references
isomeric SMILES
CC(C)[C@@](O)(C(=O)OC[C@@H]1CCN2CCC[C@H]12)[C@H](C)O
0 references
found in taxon
Eupatorium cannabinum
1 reference
stated in
Pyrrolizidine alkaloid composition of three Chinese medicinal herbs, Eupatorium cannabinum, E. japonicum and Crotalaria assamica
Amsinckia douglasiana
1 reference
stated in
Pyrrolizidine alkaloid chemosystematics in Amsinckia
Amsinckia lycopsioides
1 reference
stated in
Pyrrolizidine alkaloid chemosystematics in Amsinckia
Cynoglossum australe
1 reference
stated in
The alkaloids of Cynoglossum australe R.Br. and C. amabile Stapf & Drummond
Cynoglossum montanum
1 reference
stated in
Pyrrolizidine alkaloids from Cynoglossum creticum
Cynoglossum germanicum
1 reference
stated in
Pyrrolizidine alkaloids from Cynoglossum creticum
Identifiers
InChI
InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12-,13+,15-/m0/s1
0 references
InChIKey
BWQSLRZZOVFVHJ-XPCVCDNBSA-N
0 references
PubChem CID
7565610
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BWQSLRZZOVFVHJ-XPCVCDNBSA-N
UniChem compound ID
97432444
1 reference
stated in
UniChem
UNII
2GNG37KP8C
1 reference
matched by identifier from
InChIKey
InChIKey
BWQSLRZZOVFVHJ-XPCVCDNBSA-N
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