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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:17alpha-hydroxywithanolide D
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Accession:CHEBI:66329 term browser browse the term
Definition:A withanolide that is the 17alpha-hydroxy derivative of withanolide D. Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,22R)-4,17,20-trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
 related_synonym: 4beta,17alpha,20alpha-trihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide;   Formula=C28H38O7;   InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1;   InChIKey=JVEUOKCSZLCPOI-IBELMYMKSA-N;   SMILES=CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
 xref: PMID:17417907;   Reaxys:11130253

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                                    saturated organic heteromonocyclic parent 0
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                                            withanolide D 0
                                              17alpha-hydroxywithanolide D 0
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