<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">43931</id>
  <title nil="true"/>
  <common-name>oleandomycin</common-name>
  <description nil="true"/>
  <cas>3922-90-5</cas>
  <pubchem-id>4587</pubchem-id>
  <chemical-formula>C35H61NO12</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T10:17:42Z</created-at>
  <updated-at type="dateTime">2026-03-27T00:34:31Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <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>COC1CC(OC2C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)CC3(CO3)C(=O)C(C)C(O)C(C)C(C)OC(=O)C2C)OC(C)C1O</moldb-smiles>
  <moldb-formula>C35H61NO12</moldb-formula>
  <moldb-inchi>InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3</moldb-inchi>
  <moldb-inchikey>RZPAKFUAFGMUPI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">687.868</moldb-average-mass>
  <moldb-mono-mass type="decimal">687.419376408</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4426</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM042826</chemdb-id>
  <dsstox-id>DTXSID4023389</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Oberacher 2011</stoff-ident-origin>
  <stoff-ident-id>SI00001255</stoff-ident-id>
  <susdat-id>NS00006085</susdat-id>
  <iupac>14-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-hydroxy-12-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,7,8,11,13,15-hexamethyl-1,9-dioxaspiro[2.13]hexadecane-4,10-dione</iupac>
</compound>
