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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:cassiarin B
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Accession:CHEBI:65597 term browser browse the term
Definition:An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinolin-8(4H)-one substituted by methyl groups at positions 2 and 5 and a 4-methoxy-4-oxobutyl group at position 4. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.
Synonyms:exact_synonym: methyl 4-(2,5-dimethyl-8-oxopyrano[2,3,4-ij]isoquinolin-4(8H)-yl)butanoate
 related_synonym: Formula=C18H19NO4;   InChI=1S/C18H19NO4/c1-11-7-13-9-14(20)10-16-18(13)15(8-12(2)23-16)19(11)6-4-5-17(21)22-3/h7-10H,4-6H2,1-3H3;   InChIKey=OTLORQJLOJHVHW-UHFFFAOYSA-N;   SMILES=COC(=O)CCCn1c(C)cc2cc(=O)cc3oc(C)cc1c23
 xref: PMID:17685627;   PMID:18570405;   Reaxys:11166746

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  CHEBI ontology 0
    role 0
      application 0
        fuel 0
          methanol 0
            methyl ester 0
              cassiarin B 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              organic hydroxy compound 0
                                alcohol 0
                                  aliphatic alcohol 0
                                    alkyl alcohol 0
                                      methanol 0
                                        methyl ester 0
                                          cassiarin B 0
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