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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:kadsurenin C
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Accession:CHEBI:132651 term browser browse the term
Definition:A neolignan with formula C21H26O5, originally isolated from Piper kadsura.
Synonyms:exact_synonym: (1S,5S,6R,7R,8R)-7-(3,4-dimethoxyphenyl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
 related_synonym: Formula=C21H26O5;   InChI=1S/C21H26O5/c1-6-7-14-11-21(26-5)12(2)17(18(19(14)22)20(21)23)13-8-9-15(24-3)16(10-13)25-4/h6,8-12,17-18,20,23H,1,7H2,2-5H3/t12-,17+,18-,20-,21+/m1/s1;   InChIKey=YYEUHNBQISBESB-OFUJBLJQSA-N;   SMILES=O([C@@]12[C@@H]([C@H]([C@@]([C@H]1O)(C(=O)C(=C2)CC=C)[H])C3=CC(OC)=C(OC)C=C3)C)C
 xref: PMID:12126439;   PMID:8368081;   Reaxys:9656986


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          antagonist 113
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              kadsurenin C 0
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                  main group element atom 492
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                                  benzenoid aromatic compound 191
                                    benzenes 185
                                      methoxybenzenes 6
                                        dimethoxybenzene 1
                                          kadsurenin C 0
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