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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 398
    role 398
      biological role 398
        biochemical role 357
          metabolite 351
            eukaryotic metabolite 329
              animal metabolite 324
                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 398
    subatomic particle 398
      composite particle 398
        hadron 398
          baryon 398
            nucleon 398
              atomic nucleus 398
                atom 398
                  main group element atom 391
                    main group molecular entity 391
                      s-block molecular entity 336
                        hydrogen molecular entity 335
                          hydrides 274
                            organic hydride 69
                              organic fundamental parent 69
                                hydrocarbon 47
                                  terpene 19
                                    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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