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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:Stachybocin A
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Accession:CHEBI:208827 term browser browse the term
Synonyms:exact_synonym: (2S)-2,6-bis[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]hexanoic acid
 related_synonym: Formula=C52H70N2O10;   InChI=1S/C52H70N2O10/c1-27-12-14-38-47(3,4)40(57)16-18-49(38,7)51(27)23-31-36(55)21-29-33(42(31)63-51)25-53(44(29)59)20-10-9-11-35(46(61)62)54-26-34-30(45(54)60)22-37(56)32-24-52(64-43(32)34)28(2)13-15-39-48(5,6)41(58)17-19-50(39,52)8/h21-22,27-28,35,38-41,55-58H,9-20,23-26H2,1-8H3,(H,61,62)/t27-,28-,35+,38?,39?,40-,41-,49+,50+,51-,52-/m1/s1;   InChIKey=OWEVPGFDPBONOA-JGNXWTFTSA-N;   SMILES=O=C1N([C@H](C(=O)O)CCCCN2C(=O)C=3C=C(O)C4=C(C3C2)O[C@]5([C@@]6(C(C([C@H](O)CC6)(C)C)CC[C@H]5C)C)C4)CC7=C1C=C(O)C8=C7O[C@]9([C@@]%10(C(C([C@H](O)CC%10)(C)C)CC[C@H]9C)C)C8
 xref: Chemspider:8732994


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  CHEBI ontology 19898
    chemical entity 19896
      atom 19896
        nonmetal atom 19818
          nitrogen atom 19000
            nitrogen molecular entity 19000
              organonitrogen compound 18853
                organonitrogen heterocyclic compound 18172
                  benzopyrrole 9745
                    isoindoles 1152
                      Stachybocin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic heterocyclic compound 18890
                                  organic heteropolycyclic compound 18310
                                    organic heterobicyclic compound 17252
                                      benzopyrrole 9745
                                        isoindoles 1152
                                          Stachybocin A 0
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