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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:12-epi-scalarin
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Accession:CHEBI:519990 term browser browse the term
Definition:The 12-epimer of scalarin, a metabolite of marine sponges of the genus Spongia.
Synonyms:exact_synonym: (17a(1)R)-12beta-acetoxy-17a(1)-hydroxy-4,4,8,17,17abeta-pentamethyl-17a-homo-5alpha-androst-16-ene-17,17a(1)-carbolactone
 related_synonym: Formula=C27H40O5;   InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3/t17-,18-,19+,20+,21+,23+,25-,26-,27+/m0/s1;   InChIKey=VLFJWLVMFJQJEU-VUZQMFHASA-N;   SMILES=[H][C@@]12CC[C@]3(C)[C@]([H])(C[C@@H](OC(C)=O)[C@@]4(C)[C@@]3([H])CC=C3C(=O)O[C@@H](O)[C@]43[H])[C@@]1(C)CCCC2(C)C
 xref: PMID:17988093


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              animal metabolite 0
                12-epi-scalarin 0
                  12-O-deacetyl-12-epi-19-deoxy-21-hydroxyscalarin 0
                  12-O-deacetyl-19-O-methyl-12-epi-deoxoscalarin 0
                  12-epi-19-O-methylscalarin 0
                  12-epi-deoxoscalarin + 0
Path 2
Term Annotations click to browse term
  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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  terpene 0
                                    sesterterpene 0
                                      sesterterpenoid 0
                                        scalarane sesterterpenoid 0
                                          12-epi-scalarin 0
                                            12-O-deacetyl-12-epi-19-deoxy-21-hydroxyscalarin 0
                                            12-O-deacetyl-19-O-methyl-12-epi-deoxoscalarin 0
                                            12-epi-19-O-methylscalarin 0
                                            12-epi-deoxoscalarin + 0
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