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Isocochlioquinone a

  • Formula: C30H44O8

  • Molecular weight: 532.70

  • Smiles: CCC(C)C(C(C)C1=CC(=C2C(=O)C3C4(CCC(OC4CCC3(OC2=C1O)C)C(C)(C)O)C)O)OC(=O)C

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Isocochlioquinone a

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

Names

  • Mycotoxin name: Isocochlioquinone a

  • First synonym: Isocochlioquinone a

  • Synonyms: ISOCOCHLIOQUINONE A,Isocochlioquinone,CHEMBL2288173

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(C)C1=CC(=C2C(=O)C3C4(CCC(OC4CCC3(OC2=C1O)C)C(C)(C)O)C)O)OC(=O)C

  • Isomeric smiles: CC[C@H](C)[C@H]([C@@H](C)C1=CC(=C2C(=O)[C@@H]3[C@]4(CC[C@@H](O[C@@H]4CC[C@]3(OC2=C1O)C)C(C)(C)O)C)O)OC(=O)C

  • Inchi: InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,25,27,32-33,35H,9-13H2,1-8H3/t15-,16-,20+,21+,25+,27+,29-,30+/m0/s1

  • Inchikey: CQQWSAMDCPJWPC-FHAXAJMQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H44O8

  • Molecular weight: 532.70

  • Monoisotopic mass: 532.30361836

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