<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3942</id>
  <title>T3D3887</title>
  <common-name>Milbemectin (mixture)</common-name>
  <description>Milbemectin is a mixture of milbemycin A3 and milbemycin A4 in a ratio of 3:7. It is an active acaricide produced from fermentation products of Streptomyces subspecies. It is highly active on various phytophagous mites that live on tea plants, pome fruits, stone fruits, citrus, watermelon, strawberry and egg plants. It is also an insecticide that is active against aphids, cutworms, leafrollers and thrips. It appears to stimulate the release of gamma-aminobutyric acid (GABA) which affects the chloride channels of the central nervous system.</description>
  <cas>51596-11-3</cas>
  <pubchem-id>9959038</pubchem-id>
  <chemical-formula>C32H46O7</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:08:59Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>39229</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@H](C[C@]5(CC[C@H](C)[C@@H](CC)O5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O</moldb-smiles>
  <moldb-formula>C32H46O7</moldb-formula>
  <moldb-inchi>InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1</moldb-inchi>
  <moldb-inchikey>VOZIAWLUULBIPN-LRBNAKOISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">542.7034</moldb-average-mass>
  <moldb-mono-mass type="decimal">542.324353826</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL2272397</chembl-id>
  <chemspider-id>8134647</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002848</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one</iupac>
</compound>
