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English
5-[11-Hydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5S)-5-[(11R)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
(5S)-5-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
622.480854452
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₆₆O₇
0 references
canonical SMILES
O=C(C)CC1C(=O)OC(CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C1
0 references
found in taxon
Annona squamosa
2 references
stated in
Acetogenins from seeds of Annona reticulata
stated in
Bullatacin and bullatacinone: two highly potent bioactive acetogenins from Annona bullata
Annona papilionella
2 references
stated in
Acetogenins from seeds of Annona reticulata
stated in
Bullatacin and bullatacinone: two highly potent bioactive acetogenins from Annona bullata
Annona reticulata
1 reference
stated in
Bullatacin and bullatacinone: two highly potent bioactive acetogenins from Annona bullata
Annona bullata
1 reference
stated in
Acetogenins from seeds of Annona reticulata
Identifiers
InChI
InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3
0 references
InChIKey
KGGVWMAPBXIMEM-UHFFFAOYSA-N
0 references
CAS Registry Number
92594-03-1
0 references
PubChem CID
130310
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KGGVWMAPBXIMEM-UHFFFAOYSA-N
UniChem compound ID
32009374
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70919074
1 reference
matched by identifier from
InChIKey
InChIKey
KGGVWMAPBXIMEM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID401348011
0 references
Human Metabolome Database ID
HMDB0032097
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KGGVWMAPBXIMEM-UHFFFAOYSA-N
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