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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:actinorhodin
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Accession:CHEBI:2448 term browser browse the term
Definition:A member of the class of benzoisochromanequinone that is produced by Streptomyces coelicolor A3(2) and exhibits antibiotic activity.
Synonyms:exact_synonym: 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-[8,8'-bibenzo[g]isochromene]-3,3'-diyl]diacetic acid
 related_synonym: 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-[8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetic acid;   Actinorhodine;   Formula=C32H26O14;   InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1;   InChIKey=VTIKDEXOEJDMJP-WYUUTHIRSA-N;   SMILES=C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)C1=C(C(O)=CC(=C1O)C1=C(O)C3=C(C(O)=C1)C(=O)C1=C([C@@H](C)O[C@H](CC(O)=O)C1)C3=O)C2=O
 xref: Beilstein:76401;   CAS:1397-77-9;   KEGG:C06691;   MetaCyc:CPD1A0-6123;   PDBeChem:ZCT;   PMID:15054568;   PMID:17579485;   PMID:18207163;   PMID:24240146;   PMID:24963940;   PMID:521794;   Reaxys:22788170;   Wikipedia:Actinorhodin
 cyclic_relationship: is_conjugate_acid_of CHEBI:91020


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        antimicrobial agent 18141
          actinorhodin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbonyl compound 18869
                                    ketone 17165
                                      cyclic ketone 15685
                                        quinone 8644
                                          p-quinones 8552
                                            actinorhodin 0
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