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Epicoccamide b

  • Formula: C31H53NO10

  • Molecular weight: 599.80

  • Smiles: CC1C(=O)C(=C(C(C)CCCCCCCCCCCCCCOC2C(C(C(C(O2)CO)O)OC(=O)C)O)O)C(=O)N1C

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Epicoccamide b

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

  • Mycotoxin name: Epicoccamide b

  • First synonym: Epicoccamide b

  • Synonyms: Epicoccamide B,CHEMBL400648,3H-Pyrrol-3-one, 4-(16-((3-O-acetyl-beta-D-mannopyranosyl)oxy)-2-methyl-1-oxohexadecyl)-1,2-dihydro-5-hydroxy-1,2-dimethyl-,5-Hydroxy-1,2-dimethyl-4-(2-methyl-16-(3-O-acetyl-beta-D-mannopyranosyl)hexadecanoyl)-1H-pyrrol-3(2H)one,959855-22-2

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Structure

  • Smiles: CC1C(=O)C(=C(C(C)CCCCCCCCCCCCCCOC2C(C(C(C(O2)CO)O)OC(=O)C)O)O)C(=O)N1C

  • Isomeric smiles: CC1C(=O)/C(=C(\C(C)CCCCCCCCCCCCCCO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)C)O)/O)/C(=O)N1C

  • Inchi: InChI=1S/C31H53NO10/c1-20(25(35)24-26(36)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-28(38)29(41-22(3)34)27(37)23(19-33)42-31/h20-21,23,27-29,31,33,35,37-38H,5-19H2,1-4H3/b25-24-/t20?,21?,23-,27-,28+,29+,31-/m1/s1

  • Inchikey: WGIDOZHCUPNGEH-KGAXBQAZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H53NO10

  • Molecular weight: 599.80

  • Monoisotopic mass: 599.36694689

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