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ONTOLOGY REPORT - ANNOTATIONS


Term:Acanthifolicin
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Accession:CHEBI:144394 term browser browse the term
Synonyms:exact_synonym: (2R)-3-[(1S,2S,2'S,4S,5'R,6R)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-5'-hydroxy-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,6'-oxane]-2'-yl]-2-hydroxy-2-methylpropanoic acid
 related_synonym: Formula=C44H68O13S;   InChI=1S/C44H68O13S/c1-24(32-23-41(6)38(58-41)44(55-32)33(46)12-11-29(54-44)22-40(5,50)39(48)49)9-10-28-14-18-43(53-28)19-15-31-37(57-43)34(47)27(4)36(52-31)30(45)21-26(3)35-25(2)13-17-42(56-35)16-7-8-20-51-42/h9-10,24-26,28-38,45-47,50H,4,7-8,11-23H2,1-3,5-6H3,(H,48,49)/b10-9+/t24-,25-,26+,28+,29+,30?,31-,32+,33-,34-,35+,36+,37-,38-,40-,41-,42+,43-,44+/m1/s1;   InChIKey=PBZVIYIWLYRXNM-ZGRMKTROSA-N;   SMILES=S1[C@@]2(C[C@@H]([C@@H](/C=C/[C@@H]3O[C@@]4(O[C@H]5[C@H](O)C(=C)[C@@H](C(O)C[C@@H]([C@H]6O[C@]7(OCCCC7)CC[C@H]6C)C)O[C@@H]5CC4)CC3)C)O[C@@]8([C@H]12)O[C@@H](CC[C@H]8O)C[C@@](O)(C(=O)O)C)C
 xref: KEGG:C20006


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  CHEBI ontology 21269
    chemical entity 21267
      atom 21265
        nonmetal atom 21109
          oxygen atom 20164
            oxygen molecular entity 20164
              organooxygen compound 19550
                acetal 4565
                  ketal 2647
                    Acanthifolicin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21269
    subatomic particle 21265
      composite particle 21265
        hadron 21265
          baryon 21265
            nucleon 21265
              atomic nucleus 21265
                atom 21265
                  main group element atom 21134
                    p-block element atom 21134
                      carbon group element atom 20905
                        carbon atom 20795
                          organic molecular entity 20795
                            heteroorganic entity 20490
                              organochalcogen compound 19621
                                organooxygen compound 19550
                                  acetal 4565
                                    ketal 2647
                                      Acanthifolicin 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.