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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:(-)-(7'R,8'S)-erythro-carolignan X
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Accession:CHEBI:70667 term browser browse the term
Definition:A phenylpropanoid that has formula C39H40O12.
Synonyms:related_synonym: (-)-[(2S,3R)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-2-methoxyphenoxy]propyl](E)-3-(4-hydroxyphenyl)prop-2-enoate;   Formula=C39H40O12;   InChI=1S/C39H40O12/c1-46-33-21-27(8-15-30(33)41)11-19-37(43)49-20-4-5-26-9-17-32(35(22-26)48-3)51-36(39(45)28-12-16-31(42)34(23-28)47-2)24-50-38(44)18-10-25-6-13-29(40)14-7-25/h6-19,21-23,36,39-42,45H,4-5,20,24H2,1-3H3/b18-10+,19-11+/t36-,39+/m0/s1;   InChIKey=ZLYDRQZJTMLSQL-NZPBQFBHSA-N;   SMILES=COc1cc(\\C=C\\C(=O)OCCCc2ccc(O[C@@H](COC(=O)\\C=C\\c3ccc(O)cc3)[C@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O


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Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        biochemical role 25162
          metabolite 25092
            (-)-(7'R,8'S)-erythro-carolignan X 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    main group molecular entity 25834
                      p-block molecular entity 25829
                        carbon group molecular entity 25434
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                organic aromatic compound 23910
                                  phenylpropanoid 12144
                                    (-)-(7'R,8'S)-erythro-carolignan X 0
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