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N-glucosylmonascorubramine

  • Formula: C29H37NO9

  • Molecular weight: 543.60

  • Smiles: CCCCCCCC(=O)C1=C2C=C3C=C(N(C=C3C(=O)C2(OC1=O)C)C4C(C(C(C(O4)CO)O)O)O)C=CC

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N-glucosylmonascorubramine

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

Names

  • Mycotoxin name: N-glucosylmonascorubramine

  • First synonym: N-glucosylmonascorubramine

  • Synonyms: N-Glucosylmonascorubramine

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Structure

  • Smiles: CCCCCCCC(=O)C1=C2C=C3C=C(N(C=C3C(=O)C2(OC1=O)C)C4C(C(C(C(O4)CO)O)O)O)C=CC

  • Isomeric smiles: CCCCCCCC(=O)C1=C2C=C3C=C(N(C=C3C(=O)[C@@]2(OC1=O)C)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)/C=C/C

  • Inchi: InChI=1S/C29H37NO9/c1-4-6-7-8-9-11-20(32)22-19-13-16-12-17(10-5-2)30(14-18(16)26(36)29(19,3)39-28(22)37)27-25(35)24(34)23(33)21(15-31)38-27/h5,10,12-14,21,23-25,27,31,33-35H,4,6-9,11,15H2,1-3H3/b10-5+/t21-,23-,24+,25-,27?,29-/m1/s1

  • Inchikey: PVGVJRPGIMWEKM-IQGKOCHUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H37NO9

  • Molecular weight: 543.60

  • Monoisotopic mass: 543.24683176

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