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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:salvianolic acid B
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Accession:CHEBI:134301 term browser browse the term
Definition:A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza
Synonyms:exact_synonym: (2R)-2-({(2E)-3-[(2S,3S)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
 related_synonym: Dan Shen Suan B;   Danfensuan B;   Formula=C36H30O16;   InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28?,31-,32+/m1/s1;   InChIKey=SNKFFCBZYFGCQN-VWUOOIFGSA-N;   Lithospermate B;   Lithospermic acid B;   SMILES=OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\\C=C\\C1=C2[C@@H]([C@H](OC2=C(O)C=C1)C1=CC(O)=C(O)C=C1)C(=O)O[C@H](CC1=CC(O)=C(O)C=C1)C(O)=O
 xref: CAS:121521-90-2;   FooDB:FDB030001;   KNApSAcK:C00031982
 xref_mesh: MESH:C076944
 xref: PMID:1414377;   PMID:16933885;   PMID:27278104;   PMID:27424655;   PMID:27442887;   PMID:27484287;   PMID:27490455;   PMID:27497919;   PMID:27507327;   PMID:27513569;   PMID:27557491;   PMID:27569393;   PMID:27586425;   PMID:27592492;   PMID:27614127;   PMID:27670752;   PMID:27716647;   PMID:27779641;   PMID:27827892;   PMID:27843313;   PMID:27852325;   PMID:27893819;   PMID:27941340;   PMID:27973422;   PMID:27989594;   PMID:28000873;   PMID:28072989;   PMID:28116660;   PMID:28178753;   PMID:28211114;   PMID:28214521;   PMID:28244648;   PMID:28251987;   PMID:28254683;   Pubchem:6441188;   Reaxys:8182741



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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      chemical role 425
        antioxidant 43
          salvianolic acid B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  ester 108
                                    carboxylic ester 102
                                      alpha,beta-unsaturated carboxylic ester 0
                                        enoate ester 0
                                          salvianolic acid B 0
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