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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:(2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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Accession:CHEBI:93821 term browser browse the term
Definition:A diterpene glycoside that has formula C31H50O11.
Synonyms:related_synonym: Formula=C31H50O11;   InChI=1S/C31H50O11/c1-6-30(4)12-15-7-8-19-29(2,3)20(41-27-25(37)23(35)18(14-33)40-27)9-10-31(19,5)16(15)11-21(30)42-28-26(38)24(36)22(34)17(13-32)39-28/h6,12,16-28,32-38H,1,7-11,13-14H2,2-5H3/t16?,17-,18+,19?,20?,21?,22-,23+,24+,25-,26-,27+,28+,30?,31?/m1/s1;   InChIKey=KOOFWUOQNYFDJY-KWFCYANNSA-N;   SMILES=CC1(C2CCC3=CC(C(CC3C2(CCC1O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C=C)C
 xref: LINCS:LSM-4357


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              isoprenoid 0
                terpenoid 0
                  diterpenoid 0
                    diterpene glycoside 0
                      (2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 0
Path 2
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  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            terpene glycoside 0
                                              diterpene glycoside 0
                                                (2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 0
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