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(Q105347747)
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English
3'-Acetylindicine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3'-Acetylsupinine
1 reference
based on heuristic
inferred from SMILES
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-(1-acetyloxyethyl)-2-hydroxy-3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
341.183837584
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1S)-1-acetyloxyethyl]-2-hydroxy-3-methylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1R)-1-acetyloxyethyl]-2-hydroxy-3-methylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3'-Acetylechinatine
1 reference
based on heuristic
inferred from InChI
3'-Acetylrinderine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₇NO₆
0 references
canonical SMILES
O=C(OC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C)C
0 references
isomeric SMILES
CC(=O)O[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C
0 references
found in taxon
Heliotropium arboreum
2 references
stated in
Pyrrolizidine alkaloids from Messerschmidia argentea
stated in
Pyrrolizidine alkaloids from Messerschmidia argentea
Identifiers
InChI
InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14+,15+,17+/m0/s1
0 references
InChIKey
YFQPDKABPCMKCA-LDXOSZSPSA-N
0 references
PubChem CID
15240755
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YFQPDKABPCMKCA-LDXOSZSPSA-N
UniChem compound ID
97079512
1 reference
stated in
UniChem
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