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Anicequol

  • Formula: C30H48O6

  • Molecular weight: 504.70

  • Smiles: CC(C)C(C)C=CC(C)C1C(CC2C1(CC(C3C2C(C(=O)C4C3(CCC(C4)O)C)O)O)C)OC(=O)C

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Anicequol

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

Names

  • Mycotoxin name: Anicequol

  • First synonym: Anicequol

  • Synonyms: ANICEQUOL,CHEMBL1770668,Q15410277

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)C=CC(C)C1C(CC2C1(CC(C3C2C(C(=O)C4C3(CCC(C4)O)C)O)O)C)OC(=O)C

  • Isomeric smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1[C@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@H](C(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C)OC(=O)C

  • Inchi: InChI=1S/C30H48O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-26,28,32-33,35H,10-14H2,1-7H3/b9-8+/t16-,17+,19-,20-,21+,22-,23-,24-,25-,26-,28+,29-,30-/m0/s1

  • Inchikey: LWMKDRSIMLTGDK-TZEVRYHJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H48O6

  • Molecular weight: 504.70

  • Monoisotopic mass: 504.34508925

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