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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:talaroconvolutin A
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Accession:CHEBI:173105 term browser browse the term
Definition:An octahydronaphthalene with formula C32H41NO3. It is a fungal metabolite isolated from Talaromyces convolutus and is an inducer of ferroptosis in colorectal cancer cells.
Synonyms:exact_synonym: (5Z)-5-(4-hydroxybenzylidene)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methylhex-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one
 related_synonym: Formula=C32H41NO3;   InChI=1S/C32H41NO3/c1-7-19(2)14-21(4)28-22(5)18-32(6)17-20(3)8-13-27(32)29(28)30(35)26-16-24(33-31(26)36)15-23-9-11-25(34)12-10-23/h9-12,14-16,18-20,27-29,34H,7-8,13,17H2,1-6H3,(H,33,36)/b21-14+,24-15-/t19?,20-,27+,28-,29+,32+/m0/s1;   InChIKey=QCTUYJGFLVZOTL-NKPJVERHSA-N;   SMILES=[H][C@]12CC[C@H](C)C[C@]1(C)C=C(C)[C@@H]([C@@H]2C(=O)C1=C\\C(NC1=O)=C\\C1=CC=C(O)C=C1)C(\\C)=C\\C(C)CC;   TalaA
 xref: CAS:273199-42-1;   Chemspider:4977457;   KNApSAcK:C00047099;   PMID:10869198;   PMID:15575782;   PMID:30520578;   PMID:30577517;   PMID:33203867


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  CHEBI ontology 19899
    role 19869
      biological role 19867
        biochemical role 19574
          ferroptosis inducer 15760
            talaroconvolutin A 0
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Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19724
                              organic cyclic compound 19514
                                carbocyclic compound 18608
                                  carbopolycyclic compound 17197
                                    carbobicyclic compound 5899
                                      octahydronaphthalenes 13
                                        talaroconvolutin A 0
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