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Paraherquamide b

  • Formula: C27H33N3O4

  • Molecular weight: 463.60

  • Smiles: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCCC7(CC5C4(C)C)C(=O)N6C)C

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Paraherquamide b

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

Names

  • Mycotoxin name: Paraherquamide b

  • First synonym: None

  • Synonyms:

Identifiers / External links

Structure

  • Smiles: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCCC7(CC5C4(C)C)C(=O)N6C)C

  • Isomeric smiles: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)C34C[C@@]56CN7CCC[C@]7(C[C@H]5C4(C)C)C(=O)N6C)C

  • Inchi: InChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-21(31)27(16)14-26-15-30-11-6-9-25(30,22(32)29(26)5)13-18(26)24(27,3)4/h7-8,10,12,18H,6,9,11,13-15H2,1-5H3,(H,28,31)/t18-,25-,26+,27?/m0/s1

  • Inchikey: JPDNNPOSGMWCHG-PGGSNAJPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H33N3O4

  • Molecular weight: 463.60

  • Monoisotopic mass: 463.24710654

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Fungi

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