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vermiculine

  • Formula: C20H24O8

  • Molecular weight: 392.40

  • Smiles: CC(=O)CC1CCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O1)CC(=O)C

  • Type: Macrolactone

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vermiculine

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: vermiculine

  • First synonym: Vermiculine

  • Synonyms: Vermiculine,NSC657321,(-)-Vermiculine,37244-00-1,CHEMBL1968084,NSC-657321,Q15427944,1,11-diene-2,5,10,13-tetrone, 8,16-bis(2-oxopropyl)-, [8S-(3E,8R*,11E,16R*)]-,1,11-diene-2,5,10,13-tetrone,8,16-bis(2-oxopropyl)-, (3E,8S,11E,16S)-

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Structure

  • Smiles: CC(=O)CC1CCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O1)CC(=O)C

  • Isomeric smiles: CC(=O)C[C@H]1OC(=O)/C=C/C(=O)CC[C@H](OC(=O)/C=C/C(=O)CC1)CC(=O)C

  • Inchi: InChI=1S/C20H24O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h5-6,9-10,17-18H,3-4,7-8,11-12H2,1-2H3/b9-5+,10-6+/t17-,18-/m0/s1

  • Inchikey: CFDVIOQSLRJWSU-OFBGZIBBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H24O8

  • Molecular weight: 392.40

  • Monoisotopic mass: 392.14711772

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