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Sclerotioramine

  • Formula: C21H24ClNO4

  • Molecular weight: 389.90

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C=N1)C(=O)C(C(=C2Cl)O)(C)OC(=O)C

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Sclerotioramine

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

Names

  • Mycotoxin name: Sclerotioramine

  • First synonym: Sclerotioramine

  • Synonyms: sclerotioramine,(+)Sclerotiolamine,MLS000563071,CHEMBL1097682,ZINC14693149,SMR001215841

Identifiers / External links

Structure

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C=N1)C(=O)C(C(=C2Cl)O)(C)OC(=O)C

  • Isomeric smiles: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C=N1)C(=O)[C@@](C(=C2Cl)O)(C)OC(=O)C

  • Inchi: InChI=1S/C21H24ClNO4/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-23-15)19(25)21(5,27-14(4)24)20(26)18(16)22/h7-12,26H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1

  • Inchikey: TYTKCJXGLSJWJW-UPWXJBBJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H24ClNO4

  • Molecular weight: 389.90

  • Monoisotopic mass: 389.1393859

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