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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:6-deacetylnimbin
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Accession:CHEBI:67305 term browser browse the term
Definition:A limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica.
Synonyms:exact_synonym: methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-2-(furan-3-yl)-5-hydroxy-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate
 related_synonym: Formula=C28H34O8;   InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1;   InChIKey=CTBHKOAPXBDFPX-PQYHCQQJSA-N;   SMILES=COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@@H](c4ccoc4)C(C)=C23)[C@H](O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC;   nimbic acid dimethyl ester
 xref: CAS:18609-16-0;   PMID:21116775;   PMID:21381696;   PMID:24226248;   Reaxys:70922

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                          organic molecular entity 0
                            heteroorganic entity 0
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                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        alicyclic ketone 0
                                          cyclic terpene ketone 0
                                            nimbin 0
                                              6-deacetylnimbin 0
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