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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:chavicol hydrogen sulfate
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Accession:CHEBI:133096 term browser browse the term
Definition:An aryl sulfate that is chavicol in which the phenolic hydrogen has been replaced by a sulfo group.
Synonyms:exact_synonym: 4-(prop-2-en-1-yl)phenyl hydrogen sulfate
 related_synonym: 4-allylphenol sulfate;   4-allylphenyl hydrogen sulfate;   Formula=C9H10O4S;   InChI=1S/C9H10O4S/c1-2-3-8-4-6-9(7-5-8)13-14(10,11)12/h2,4-7H,1,3H2,(H,10,11,12);   InChIKey=KFDHKOFCRYUXLA-UHFFFAOYSA-N;   SMILES=C=1C(=CC=C(C1)OS(O)(=O)=O)CC=C;   chavicol sulfate;   p-allylphenyl hydrogen sulfate;   p-allylphenyl sulfate
 cyclic_relationship: is_conjugate_acid_of CHEBI:133097


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  CHEBI ontology 226
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      atom 226
        nonmetal atom 219
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              olefinic compound 42
                chavicol hydrogen sulfate 0
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                                  sulfur oxoacid 13
                                    sulfuric acid 1
                                      sulfuric acid derivative 1
                                        sulfates 1
                                          organic sulfate 1
                                            aryl sulfate 0
                                              chavicol hydrogen sulfate 0
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