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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:2alpha-Hydroxypyracrenic acid
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Accession:CHEBI:168334 term browser browse the term
Synonyms:exact_synonym: 9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-10-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
 related_synonym: Formula=C39H54O7;   InChI=1S/C39H54O7/c1-22(2)24-14-17-39(34(44)45)19-18-37(6)25(32(24)39)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-9,11,13,20,24-25,28-30,32-33,40-42H,1,10,12,14-19,21H2,2-7H3,(H,44,45)/b13-9+;   InChIKey=AWDJEUILTFQWKH-UKTHLTGXSA-N;   SMILES=O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(C)=C)C(O)=O)CC3)C)(CC2)C)(CC1O)C)(C)C)C(=O)/C=C/C6=CC(O)=C(O)C=C6
 xref: Chemspider:74886374;   HMDB:HMDB0029780


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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          carbon atom 2
            organic molecular entity 2
              isoprenoid 0
                terpenoid 0
                  triterpenoid 0
                    2alpha-Hydroxypyracrenic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  terpene 0
                                    triterpene 0
                                      triterpenoid 0
                                        2alpha-Hydroxypyracrenic acid 0
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