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Aspochalamin C - Ontology Report - Rat Genome Database

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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:Aspochalamin C
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Accession:CHEBI:197968 term browser browse the term
Synonyms:exact_synonym: 2-[[(1S,9Z,11S,14S,15R,16S)-5-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-9,12-dien-4-yl]amino]-N-[(2R)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxopropan-2-yl]benzamide
 related_synonym: Formula=C44H55N5O5;   InChI=1S/C44H55N5O5/c1-25(2)20-37-40-28(5)27(4)22-31-21-26(3)12-11-17-38(50)36(23-39(51)44(31,40)43(54)49-37)48-35-16-10-8-14-33(35)42(53)47-29(6)41(52)45-19-18-30-24-46-34-15-9-7-13-32(30)34/h7-10,13-16,18-19,21-22,24-25,28-29,31,36-38,40,46,48,50H,11-12,17,20,23H2,1-6H3,(H,45,52)(H,47,53)(H,49,54)/b19-18+,26-21-/t28-,29-,31+,36?,37+,38?,40+,44-/m1/s1;   InChIKey=YELHVTGJKDJFEW-XGZUFEHESA-N;   SMILES=O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCCC(C(C1)NC4=C(C(=O)N[C@@H](C(=O)N/C=C/C=5C6=C(C=CC=C6)NC5)C)C=CC=C4)O)C)C)CC(C)C
 xref: Chemspider:78440705

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  CHEBI ontology 20856
    role 20816
      biological role 20814
        biochemical role 20261
          metabolite 20243
            eukaryotic metabolite 19957
              fungal metabolite 18283
                Aspochalamin C 0
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  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            organic molecule 20649
                              organic cyclic compound 20400
                                organic heterocyclic compound 19383
                                  organic heteropolycyclic compound 18642
                                    organic heterobicyclic compound 17527
                                      benzopyrrole 9833
                                        isoindoles 1158
                                          cytochalasin 83
                                            Aspochalamin C 0
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