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Aureobasidin d

  • Formula: C66H103N9O13

  • Molecular weight: 1230.60

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(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)CO)C)C(C)(C)O)C)CC(C)C)C(C)C)C

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Aureobasidin d

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

Names

  • Mycotoxin name: Aureobasidin d

  • First synonym: Aureobasidin d

  • Synonyms: Aureobasidin D

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(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)CO)C)C(C)(C)O)C)CC(C)C)C(C)C)C

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)NC(C(=O)N([C@H](C(=O)NC(C(=O)N([C@@H](C(=O)N([C@@H](C(=O)O1)C(C)CO)C)C(C)(C)O)C)CC(C)C)C(C)C)C)[C@@H](C)CC)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

  • Inchi: InChI=1S/C66H103N9O13/c1-19-41(9)50-62(83)71(15)51(39(5)6)57(78)67-46(34-38(3)4)60(81)74(18)55(66(12,13)87)64(85)73(17)53(43(11)37-76)65(86)88-54(42(10)20-2)63(84)72(16)52(40(7)8)58(79)68-47(35-44-28-23-21-24-29-44)59(80)70(14)49(36-45-30-25-22-26-31-45)61(82)75-33-27-32-48(75)56(77)69-50/h21-26,28-31,38-43,46-55,76,87H,19-20,27,32-37H2,1-18H3,(H,67,78)(H,68,79)(H,69,77)/t41-,42-,43?,46?,47+,48-,49-,50?,51-,52+,53+,54-,55-/m0/s1

  • Inchikey: XLGICCRHFFBOEL-YBAJLSIGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C66H103N9O13

  • Molecular weight: 1230.60

  • Monoisotopic mass: 1229.76753437

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