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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:rebaudioside B(1-)
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Accession:CHEBI:145013 term browser browse the term
Definition:A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of rebaudioside B. The major species at pH 7.3.
Synonyms:exact_synonym: 13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate
 related_synonym: Formula=C38H59O18;   InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/p-1/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1;   InChIKey=DRSKVOAJKLUMCL-MMUIXFKXSA-M;   SMILES=[H][C@@]12CC[C@@]3(C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C([O-])=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O;   rebaudioside B;   rebaudioside B anion;   stevioside a4(1-)
 xref: MetaCyc:CPD-14507;   PMID:15610349;   PMID:31324778
 cyclic_relationship: is_conjugate_base_of CHEBI:229537

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          anion 0
            organic anion 0
              carboxylic acid anion 0
                monocarboxylic acid anion 0
                  rebaudioside B(1-) 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
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  carbohydrate acid anion 0
                                    carbohydrate acid derivative anion 0
                                      rebaudioside B(1-) 0
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