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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:withalongolide G
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Accession:CHEBI:69126 term browser browse the term
Definition:A withanolide that is 2,3-dihydrowithaferin A substituted by a hydroxy group at position 19 and a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (3beta,4beta,5beta,6beta,22R)-4,19,27-trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-3-yl hydrogen sulfate
 related_synonym: 2,3-dihydro-19-hydroxy-3beta-O-sulfatewithaferin A;   Formula=C28H40O11S;   InChI=1S/C28H40O11S/c1-13-8-20(37-25(33)16(13)11-29)14(2)17-4-5-18-15-9-23-28(38-23)24(32)21(39-40(34,35)36)10-22(31)27(28,12-30)19(15)6-7-26(17,18)3/h14-15,17-21,23-24,29-30,32H,4-12H2,1-3H3,(H,34,35,36)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1;   InChIKey=COBSTJNYJHEYIM-WQWZRYHASA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1
 xref: PMID:22098611;   Reaxys:22217716

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            withalongolide G 0
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    subatomic particle 0
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                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
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            steroid sulfate 0
                                              withalongolide G 0
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