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ONTOLOGY REPORT - ANNOTATIONS


Term:(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
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Accession:CHEBI:50118 term browser browse the term
Definition:A member of the class of pterocarpans that is (6aS,11aS)-3,6a,9-trihydroxypterocarpan in which the hydrogen atom at position 2 is substituted by a 3-methylbut-2-en-1-yl group.
Synonyms:exact_synonym: (6aS,11aS)-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol
 related_synonym: (+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan;   2-dimethylallylglycinol;   Formula=C20H20O5;   Glyceocarpin;   InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1;   InChIKey=TUXXPRXOVFCNPC-VQTJNVASSA-N;   SMILES=[H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1cc(O)c(CC=C(C)C)cc21;   pterocarpan glyceocarpin
 xref: CAS:77979-22-7 "KEGG COMPOUND";   KEGG:C15509;   KNApSAcK:C00009688;   MetaCyc:CPD-4404;   PMID:10956166 "Europe PMC";   Reaxys:7388960 "Reaxys"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21030
    role 21011
      biological role 21009
        antimicrobial agent 18059
          3,6,9-trihydroxypterocarpan 0
            (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21030
    subatomic particle 21024
      composite particle 21024
        hadron 21024
          baryon 21024
            nucleon 21024
              atomic nucleus 21024
                atom 21024
                  main group element atom 20866
                    p-block element atom 20866
                      carbon group element atom 20607
                        carbon atom 20584
                          organic molecular entity 20584
                            organic molecule 20439
                              organic cyclic compound 20122
                                organic heterocyclic compound 18978
                                  organic heteropolycyclic compound 18402
                                    benzofurochromene 1778
                                      pterocarpans 0
                                        3,6,9-trihydroxypterocarpan 0
                                          (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.