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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:Penochalasin I
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Accession:CHEBI:212134 term browser browse the term
Synonyms:exact_synonym: (1S,6R,7E,9S,11E,13R,16R,27S,30R)-6-hydroxy-7,9,16,30-tetramethyl-18,28-diazahexacyclo[14.13.1.01,13.017,25.019,24.027,30]triaconta-3,7,11,17(25),19,21,23-heptaene-2,5,29-trione
 related_synonym: Formula=C32H36N2O4;   InChI=1S/C32H36N2O4/c1-18-8-7-9-20-14-15-30(3)28-22(21-10-5-6-11-23(21)33-28)17-25-31(30,4)32(20,29(38)34-25)26(36)13-12-24(35)27(37)19(2)16-18/h5-7,9-13,16,18,20,25,27,33,37H,8,14-15,17H2,1-4H3,(H,34,38)/b9-7+,13-12?,19-16+/t18-,20-,25-,27+,30-,31+,32-/m0/s1;   InChIKey=CNOXPHKUUAMNSN-VXHPOFCZSA-N;   SMILES=O=C1C=CC(=O)[C@H](O)C(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@@H]4[C@@]3([C@](C=5NC=6C=CC=CC6C5C4)(CC2)C)C)C)C



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Path 1
Term Annotations click to browse term
  CHEBI ontology 26092
    chemical entity 26071
      atom 26067
        nonmetal atom 25559
          nitrogen atom 22559
            nitrogen molecular entity 22559
              organonitrogen compound 21955
                organonitrogen heterocyclic compound 20355
                  Penochalasin I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26092
    subatomic particle 26067
      composite particle 26067
        hadron 26067
          baryon 26067
            nucleon 26067
              atomic nucleus 26067
                atom 26067
                  main group element atom 25894
                    p-block element atom 25894
                      carbon group element atom 25481
                        carbon atom 25440
                          organic molecular entity 25440
                            organic molecule 25253
                              organic cyclic compound 24300
                                organic heterocyclic compound 22339
                                  organic heteropolycyclic compound 21333
                                    organic heterotetracyclic compound 10071
                                      Penochalasin I 0
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