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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 501
    role 501
      biological role 501
        biochemical role 460
          metabolite 451
            (-)-(7'R,8'S)-erythro-carolignan X 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    main group molecular entity 494
                      p-block molecular entity 494
                        carbon group molecular entity 483
                          organic molecular entity 482
                            organic molecule 473
                              organic cyclic compound 456
                                organic aromatic compound 394
                                  phenylpropanoid 16
                                    (-)-(7'R,8'S)-erythro-carolignan X 0
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