<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-22 18:31:12 UTC</creation_date>
  <update_date>2026-09-22 18:31:54 UTC</update_date>
  <accession>FDB118688</accession>
  <name>avocatin B</name>
  <description/>
  <synonyms>
    <synonym>heptadec-16-ene-1,2,4-triol;heptadec-16-yne-1,2,4-triol</synonym>
    <synonym>KBio3_002327</synonym>
  </synonyms>
  <chemical_formula>C34H66O6</chemical_formula>
  <average_molecular_weight>570.9</average_molecular_weight>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C=CCCCCCCCCCCCC(CC(CO)O)O.C#CCCCCCCCCCCCC(CC(CO)O)O</smiles>
  <inchi>InChI=1S/C17H34O3.C17H32O3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2;1,16-20H,3-15H2</inchi>
  <inchikey>MKQLKSXQNMNNHU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>average_mass</kind>
    <value>570.9</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>C=CCCCCCCCCCCCC(CC(CO)O)O.C#CCCCCCCCCCCCC(CC(CO)O)O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C34H66O6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C17H34O3.C17H32O3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2;1,16-20H,3-15H2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>MKQLKSXQNMNNHU-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
