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Neoatroviridin a

  • Formula: C81H142N20O21

  • Molecular weight: 1732.10

  • Smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

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Neoatroviridin a

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

Names

  • Mycotoxin name: Neoatroviridin a

  • First synonym: Neoatroviridin a

  • Synonyms: Neoatroviridin A

Identifiers / External links

Structure

  • Smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

  • Isomeric smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

  • Inchi: InChI=1S/C81H142N20O21/c1-27-81(26,72(121)100-80(24,25)73(122)101-34-28-29-54(101)65(114)89-52(37-44(6)7)63(112)98-79(22,23)71(120)99-78(20,21)70(119)90-49(30-32-55(82)104)60(109)87-48(41-102)35-42(2)3)94-58(107)40-85-67(116)75(14,15)96-64(113)53(38-45(8)9)92-69(118)77(18,19)95-61(110)50(31-33-56(83)105)91-68(117)76(16,17)97-62(111)51(36-43(4)5)88-59(108)46(10)86-57(106)39-84-66(115)74(12,13)93-47(11)103/h42-46,48-54,102H,27-41H2,1-26H3,(H2,82,104)(H2,83,105)(H,84,115)(H,85,116)(H,86,106)(H,87,109)(H,88,108)(H,89,114)(H,90,119)(H,91,117)(H,92,118)(H,93,103)(H,94,107)(H,95,110)(H,96,113)(H,97,111)(H,98,112)(H,99,120)(H,100,121)

  • Inchikey: JMKOYBUMBDANCQ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C81H142N20O21

  • Molecular weight: 1732.10

  • Monoisotopic mass: 1731.06584162

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