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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:3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone
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Accession:CHEBI:59150 term browser browse the term
Definition:A butan-4-olide having a (4-nitrophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.
Synonyms:exact_synonym: (5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-nitrobenzene-1-sulfonate
 related_synonym: (5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl 4-nitrobenzenesulfonate;   3-(4-nitrobenzenesulfonyloxy)methyl-5,5-dimethylbutyrolactone;   3-(4-nitrobenzenesulfonyloxy)methyl-5,5-dimethyldihydro-2(3H)-furanone;   5,5-dimethyl-3-(4-nitrobenzenesulfonyloxy)methyldihydro-2(3H)-furanone;   Formula=C13H15NO7S;   InChI=1S/C13H15NO7S/c1-13(2)7-9(12(15)21-13)8-20-22(18,19)11-5-3-10(4-6-11)14(16)17/h3-6,9H,7-8H2,1-2H3;   InChIKey=CIWYMYLIHUQJMN-UHFFFAOYSA-N;   SMILES=CC1(C)CC(COS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)O1
 xref: PMID:8075360;   PMID:8075361


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          nitro group 0
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                3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone 0
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    subatomic particle 0
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            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfonic acid 0
                                      sulfo group 0
                                        organosulfonic acid 0
                                          arenesulfonic acid 0
                                            arenesulfonate ester 0
                                              3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone 0
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