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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:(1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-olate
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Accession:CHEBI:155856 term browser browse the term
Definition:Intermediate in the biosynthesis of pyrroindomycin antibiotics. Major species at pH 7.3.
Synonyms:related_synonym: Formula=C30H42NO5;   InChI=1S/C30H43NO5/c1-6-18-15-28(4)13-16(2)17(3)14-30(28)26(35)24(27(36)31-30)25(34)29(5)19(12-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,13,17-23,32-33,35H,6-9,12,14-15H2,1-5H3,(H,31,36)/p-1/t17-,18-,19+,20+,21-,22+,23-,28+,29-,30-/m1/s1;   InChIKey=FVMMLTQICWHKRS-XEYQCMGESA-M;   SMILES=[C@]12([C@@H](C=C[C@]3([C@]1(CCC[C@@H]3O)[H])[H])C[C@H]([C@@H](C[C@@]4(C=C([C@@H](C[C@]54C(=C(C2=O)C(N5)=O)[O-])C)C)C)CC)O)C
 xref: PMID:25730548;   PMID:26877021;   PMID:29657086

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  CHEBI ontology 0
    chemical entity 0
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              polycyclic compound 0
                spiro compound 0
                  (1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-olate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  group 0
                    polyatomic entity 0
                      molecule 0
                        cyclic compound 0
                          polycyclic compound 0
                            spiro compound 0
                              (1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-olate 0
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