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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:1'-O-Acetylpaxilline
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Accession:CHEBI:186023 term browser browse the term
Synonyms:exact_synonym: (1S,2S,4aR,5R,8aR)-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol;   2-[(1S,2R,5S,7R,11S,14S)-11-hydroxy-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-yl acetate
 related_synonym: Formula=C29H35NO5;   InChI=1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1;   InChIKey=OHPVFSRTGKOAHP-FPCGACKZSA-N;   SMILES=O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC=CC5)[H])C)(CC[C@@]6(O[C@@](C(=O)C=C26)(C(OC(=O)C)(C)C)[H])[H])C
 xref: CAS:121998-08-1;   Chemspider:10134801;   Chemspider:2339244;   HMDB:HMDB0037530


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  CHEBI ontology 19893
    chemical entity 19891
      atom 19891
        nonmetal atom 19814
          oxygen atom 19553
            oxygen molecular entity 19553
              organooxygen compound 19202
                1'-O-Acetylpaxilline 0
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  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                organic heterocyclic compound 18887
                                  organic heteropolycyclic compound 18313
                                    organic heterotricyclic compound 15872
                                      1'-O-Acetylpaxilline 0
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