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Spirotryprostatin G

  • Formula: C22H25N3O7

  • Molecular weight: 443.40

  • Smiles: CC(=CC1C2(C(C3(N1C(=O)C4(CCCN4C3=O)O)O)O)C(=O)C5=C(N2)C=C(C=C5)OC)C

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Spirotryprostatin G

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

Names

  • Mycotoxin name: Spirotryprostatin G

  • First synonym: None

  • Synonyms: Spirotryprostatin G,CHEBI:208781,(3R,4S,5S,6S,9R)-3,4,9-trihydroxy-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,2'-1H-indole]-2,3',8-trione

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Structure

  • Smiles: CC(=CC1C2(C(C3(N1C(=O)C4(CCCN4C3=O)O)O)O)C(=O)C5=C(N2)C=C(C=C5)OC)C

  • Isomeric smiles: CC(=C[C@H]1[C@]2([C@@H]([C@@]3(N1C(=O)[C@@]4(CCCN4C3=O)O)O)O)C(=O)C5=C(N2)C=C(C=C5)OC)C

  • Inchi: InChI=1S/C22H25N3O7/c1-11(2)9-15-21(16(26)13-6-5-12(32-3)10-14(13)23-21)17(27)22(31)19(29)24-8-4-7-20(24,30)18(28)25(15)22/h5-6,9-10,15,17,23,27,30-31H,4,7-8H2,1-3H3/t15-,17-,20+,21+,22+/m0/s1

  • Inchikey: VTQUYIHTIIOWPO-LYFVQSQRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H25N3O7

  • Molecular weight: 443.40

  • Monoisotopic mass: 443.16925015

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