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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:Divirensol F
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Accession:CHEBI:222821 term browser browse the term
Synonyms:exact_synonym: 3-[(3aS,4S,5R,7aS)-7a-[2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoyl]oxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoic acid
 related_synonym: Formula=C29H42O9;   InChI=1S/C29H42O9/c1-16(2)22-6-5-18(12-30)9-19(22)10-21(14-32)27(35)38-29-8-7-23(17(3)4)24(11-20(13-31)26(33)34)25(29)28(36)37-15-29/h9-11,16-17,19,22-25,30-32H,5-8,12-15H2,1-4H3,(H,33,34)/t19-,22-,23-,24-,25-,29-/m1/s1;   InChIKey=SURXDMKZUNYPPX-JSWYNFOLSA-N;   SMILES=O=C1OC[C@]2([C@@H]1[C@H](C=C(C(=O)O)CO)[C@@H](C(C)C)CC2)OC(=O)C(=C[C@H]3C=C(CC[C@@H]3C(C)C)CO)CO


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      atom 19896
        nonmetal atom 19818
          carbon atom 19771
            organic molecular entity 19771
              isoprenoid 14074
                terpenoid 13775
                  terpene lactone 2188
                    Divirensol F 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  ester 17474
                                    carboxylic ester 16758
                                      lactone 13308
                                        terpene lactone 2188
                                          Divirensol F 0
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