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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:Grincamycin B
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Accession:CHEBI:216990 term browser browse the term
Synonyms:exact_synonym: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxybutanoic acid
 related_synonym: Formula=C49H62O18;   InChI=1S/C49H62O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-10,22-26,33-36,38-41,48,52,55-56H,11-21H2,1-6H3,(H,53,54)/t22-,23-,24-,25-,26+,33+,34-,35-,36+,38-,39-,40-,41-,48+,49+/m0/s1;   InChIKey=FMPNXDMJKBQLJR-SVDKGFTASA-N;   SMILES=O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)C[C@@](O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H](C(=O)CC5)C)CC4)C)(CC(=O)O)C)[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H](C(=O)CC8)C)CC7)C)[C@@H](C6)O)C
 xref: Chemspider:28531250

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              homocyclic compound 0
                carbocyclic compound 0
                  carbopolycyclic compound 0
                    carbotricyclic compound 0
                      anthracenes 0
                        anthraquinone 0
                          Grincamycin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        quinone 0
                                          acenoquinone 0
                                            anthraquinone 0
                                              Grincamycin B 0
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