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<compound>
  <id type="integer">107455</id>
  <title nil="true"/>
  <common-name>Cem-101</common-name>
  <description>Cem-101 belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C43H65FN6O10. With an average molecular weight of 845.01 g/mol, Cem-101 is a heavy molecule.</description>
  <cas>760981-83-7</cas>
  <pubchem-id>25242512</pubchem-id>
  <chemical-formula>C43H65FN6O10</chemical-formula>
  <weight>845</weight>
  <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">2026-04-05T13:53:14Z</created-at>
  <updated-at type="dateTime">2026-08-22T14:33:41Z</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>DB09308</drugbank-id>
  <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@]12N(CCCCN3C=C(N=N3)C3=CC(N)=CC=C3)C(=O)O[C@]1(C)[C@@]([H])(CC)OC(=O)[C@@](C)(F)C(=O)[C@]([H])(C)[C@@]([H])(O[C@]1([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]1([H])O)[C@@](C)(C[C@@]([H])(C)C(=O)[C@]2([H])C)OC</moldb-smiles>
  <moldb-formula>C43H65FN6O10</moldb-formula>
  <moldb-inchi>InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1</moldb-inchi>
  <moldb-inchikey>IXXFZUPTQVDPPK-ZAWHAJPISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">845.0088</moldb-average-mass>
  <moldb-mono-mass type="decimal">844.4746205</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.76</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM103348</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00073082</susdat-id>
  <iupac>(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer">720</paper-count>
  <sync-id>CED0009718</sync-id>
  <structure-inchikey>IXXFZUPTQVDPPK-ZAWHAJPISA-N</structure-inchikey>
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  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:42:23Z</structure-indexed-at>
</compound>
