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(Q82901553)
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Annonacin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
(5S)-5-methyl-3-{2,8,13-trihydroxy-13-[(2R,5S)-5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5H-furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
596.465204388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₆₄O₇
0 references
canonical SMILES
O=C1OC(C=C1CC(O)CCCCCC(O)CCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C
0 references
found in taxon
Annona reticulata
5 references
stated in
Asitrilobins A and B: cytotoxic mono-THF annonaceous acetogenins from the seeds of Asimina triloba
stated in
Annonacin, a novel, biologically active polyketide from Annona densicoma
stated in
Acetogenins from Annona glabra seeds
stated in
Montacin and cis-montacin, two new cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona montana.
stated in
New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata
Annona muricata
4 references
stated in
Asitrilobins A and B: cytotoxic mono-THF annonaceous acetogenins from the seeds of Asimina triloba
stated in
Annonacin, a novel, biologically active polyketide from Annona densicoma
stated in
Acetogenins from Annona glabra seeds
stated in
Montacin and cis-montacin, two new cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona montana.
Annona glabra
4 references
stated in
Asitrilobins A and B: cytotoxic mono-THF annonaceous acetogenins from the seeds of Asimina triloba
stated in
Annonacin, a novel, biologically active polyketide from Annona densicoma
stated in
Montacin and cis-montacin, two new cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona montana.
stated in
New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata
Annona montana
4 references
stated in
Asitrilobins A and B: cytotoxic mono-THF annonaceous acetogenins from the seeds of Asimina triloba
stated in
Annonacin, a novel, biologically active polyketide from Annona densicoma
stated in
Acetogenins from Annona glabra seeds
stated in
New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata
Annona densicoma
4 references
stated in
Asitrilobins A and B: cytotoxic mono-THF annonaceous acetogenins from the seeds of Asimina triloba
stated in
Acetogenins from Annona glabra seeds
stated in
Montacin and cis-montacin, two new cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona montana.
stated in
New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata
Annona squamosa
1 reference
stated in
Four annonins from Annona squamosa
Identifiers
InChI
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
0 references
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
0 references
CAS Registry Number
130853-76-8
0 references
PubChem CID
179866
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2037224
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
UniChem compound ID
32010701
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50926943
1 reference
matched by identifier from
InChIKey
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID201332678
0 references
Human Metabolome Database ID
HMDB0033628
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
KNApSAcK ID
C00059577
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
C00059578
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNODZYPOIPVPRF-UHFFFAOYSA-N
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