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Aureobasidin f

  • Formula: C59H90N8O11

  • Molecular weight: 1087.40

  • Smiles: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)(C)O)C)CC(C)C)C(C)C

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Aureobasidin f

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

Names

  • Mycotoxin name: Aureobasidin f

  • First synonym: Aureobasidin f

  • Synonyms: Aureobasidin F

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)(C)O)C)CC(C)C)C(C)C

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NC(C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@@H](C)CC)C(C)(C)O)C)CC(C)C)C(C)C

  • Inchi: InChI=1S/C59H90N8O11/c1-16-37(9)46-52(70)62-45(35(5)6)51(69)60-41(31-34(3)4)55(73)66(15)49(59(11,12)77)58(76)78-48(38(10)17-2)57(75)65(14)47(36(7)8)53(71)61-42(32-39-25-20-18-21-26-39)54(72)64(13)44(33-40-27-22-19-23-28-40)56(74)67-30-24-29-43(67)50(68)63-46/h18-23,25-28,34-38,41-49,77H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t37-,38-,41?,42+,43-,44+,45-,46-,47+,48-,49-/m0/s1

  • Inchikey: NYMXEEYDKNDFED-XBPSYACESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C59H90N8O11

  • Molecular weight: 1087.40

  • Monoisotopic mass: 1086.67290572

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