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(Q82926721)
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Nimbolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Jziqwnppbkfopt-ablzdqehsa-
1 reference
based on heuristic
inferred from SMILES
methyl 2-[(1R,2S,6R,10S,11R,15R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadeca-7,13-dien-10-yl]acetate
1 reference
based on heuristic
inferred from SMILES
methyl 2-[(1R,2S,4R,9R,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
1 reference
based on heuristic
inferred from SMILES
mass
466.1991533
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₀O₇
0 references
canonical SMILES
O=C(OC)CC1C2(C(=O)C=CC3(C(=O)OC(C4OC5C(=C(C)C(C6=COC=C6)C5)C41C)C32)C)C
0 references
found in taxon
Azadirachta indica
1 reference
stated in
Limonoids from Azadirachta excelsa
Azadirachta excelsa
2 references
stated in
Identification of nimbidic acid and nimbidinin from Azadirachta indica
stated in
Chemical characterization of Azadirachta indica grafted on Melia azedarach and analyses of azadirachtin by HPLC-MS-MS (SRM) and meliatoxins by MALDI-MS.
Identifiers
InChI
InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3
0 references
InChIKey
JZIQWNPPBKFOPT-UHFFFAOYSA-N
0 references
CAS Registry Number
25990-37-8
0 references
PubChem CID
100017
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZIQWNPPBKFOPT-UHFFFAOYSA-N
UniChem compound ID
24673040
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20948894
0 references
DSSTOX compound identifier
DTXCID001377107
0 references
NSC number
309909
0 references
Human Metabolome Database ID
HMDB0255610
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZIQWNPPBKFOPT-UHFFFAOYSA-N
Probes And Drugs ID
PD118093
0 references
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