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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'S,8S,8'S)-3',4,4'-trihydroxy-5-methoxy-2,7'-cyclolignan
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Accession:CHEBI:68158 term browser browse the term
Definition:A lignan that is 1,2,3,4-tetrahydronaphthalene substituted by methyl groups at positions 2 and 3, a hydroxy group at position 7, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from the bark of Machilus robusta.
Synonyms:exact_synonym: 4-[(1S,2S,3S)-7-hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol
 related_synonym: Formula=C19H22O4;   InChI=1S/C19H22O4/c1-10-6-13-8-18(23-3)17(22)9-14(13)19(11(10)2)12-4-5-15(20)16(21)7-12/h4-5,7-11,19-22H,6H2,1-3H3/t10-,11-,19-/m0/s1;   InChIKey=GSOJAKKBDGPDIS-ADWYPQAOSA-N;   SMILES=COc1cc2C[C@H](C)[C@H](C)[C@@H](c3ccc(O)c(O)c3)c2cc1O
 xref: PMID:21627109;   Reaxys:21646972


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5179
    role 5146
      biological role 5146
        biochemical role 5068
          metabolite 5056
            eukaryotic metabolite 5038
              plant metabolite 479
                (+)-(7'S,8S,8'S)-3',4,4'-trihydroxy-5-methoxy-2,7'-cyclolignan 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5179
    subatomic particle 5170
      composite particle 5170
        hadron 5170
          baryon 5170
            nucleon 5170
              atomic nucleus 5170
                atom 5170
                  main group element atom 5142
                    p-block element atom 5139
                      carbon group element atom 5058
                        carbon atom 5057
                          organic molecular entity 5057
                            organic molecule 5005
                              organic cyclic compound 4945
                                carbocyclic compound 272
                                  benzenoid aromatic compound 242
                                    benzenes 234
                                      methoxybenzenes 1
                                        monomethoxybenzene 0
                                          guaiacols 0
                                            (+)-(7'S,8S,8'S)-3',4,4'-trihydroxy-5-methoxy-2,7'-cyclolignan 0
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