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(Q104168524)
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English
2-[2-[1-(3-Hydroxy-2,4-dimethyldodec-4-enoyl)pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxypropanoic acid
group of stereoisomers with the chemical formula C₂₈H₄₇NO₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
525.330167464
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₇NO₈
0 references
canonical SMILES
O=C(O)C(OC(=O)C(OC(=O)C1N(C(=O)C(C)C(O)C(=CCCCCCCC)C)CCC1)C(C)CC)C
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Identifiers
InChI
InChI=1S/C28H47NO8/c1-7-9-10-11-12-13-15-19(4)23(30)20(5)25(31)29-17-14-16-22(29)27(34)37-24(18(3)8-2)28(35)36-21(6)26(32)33/h15,18,20-24,30H,7-14,16-17H2,1-6H3,(H,32,33)
0 references
InChIKey
HYPDCGGBAFGHKA-UHFFFAOYSA-N
0 references
PubChem CID
73836735
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HYPDCGGBAFGHKA-UHFFFAOYSA-N
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