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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:(1R,3aS,5bS,9R,11aR,13aS)-9-hydroxy-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
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Accession:CHEBI:145455 term browser browse the term
Synonyms:related_synonym: Formula=C29H46O3;   InChI=1S/C29H46O3/c1-17(2)18-9-15-29(25(31)32)16-10-20-19(24(18)29)7-8-22-27(20,5)13-11-21-26(3,4)23(30)12-14-28(21,22)6/h18-24,30H,1,7-16H2,2-6H3,(H,31,32)/t18-,19-,20?,21?,22?,23+,24?,27-,28-,29-/m0/s1;   InChIKey=KGUHFCVSCDQVEU-VXZDKHNRSA-N;   SMILES=O[C@H]1C(C2[C@@](C3[C@](C4[C@@](C5[C@@](CC4)(CC[C@H]5C(C)=C)C(O)=O)(CC3)[H])(CC2)C)(CC1)C)(C)C
 xref: Chemspider:5140671


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Term Annotations click to browse term
  CHEBI ontology 19890
    chemical entity 19888
      molecular entity 19887
        polyatomic entity 19839
          molecule 19731
            cyclic compound 19525
              polycyclic compound 18839
                organic polycyclic compound 17315
                  pentacyclic triterpenoid 489
                    (1R,3aS,5bS,9R,11aR,13aS)-9-hydroxy-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19888
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19888
              atomic nucleus 19888
                atom 19888
                  main group element atom 19827
                    main group molecular entity 19827
                      s-block molecular entity 19663
                        hydrogen molecular entity 19645
                          hydrides 19157
                            organic hydride 18709
                              organic fundamental parent 18709
                                hydrocarbon 18460
                                  terpene 14087
                                    terpenoid 13787
                                      triterpenoid 1236
                                        pentacyclic triterpenoid 489
                                          (1R,3aS,5bS,9R,11aR,13aS)-9-hydroxy-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid 0
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