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Kodaistatin c

  • Formula: C35H34O12

  • Molecular weight: 646.60

  • Smiles: CCC(C)C=C(C)C=CC(=O)CC1=C(C(C(C1=O)O)(C(=O)C)O)C2=CC(=C(C=C2C3=C(C(=CC4=CC(=C(C=C4)O)O)OC3=O)O)O)O

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Kodaistatin c

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

Names

  • Mycotoxin name: Kodaistatin c

  • First synonym: Kodaistatin c

  • Synonyms: Kodaistatin C,Kodaistatin B

Identifiers / External links

Structure

  • Smiles: CCC(C)C=C(C)C=CC(=O)CC1=C(C(C(C1=O)O)(C(=O)C)O)C2=CC(=C(C=C2C3=C(C(=CC4=CC(=C(C=C4)O)O)OC3=O)O)O)O

  • Isomeric smiles: CCC(C)/C=C(\C)/C=C/C(=O)CC1=C(C(C(C1=O)O)(C(=O)C)O)C2=CC(=C(C=C2C3=C(/C(=C/C4=CC(=C(C=C4)O)O)/OC3=O)O)O)O

  • Inchi: InChI=1S/C35H34O12/c1-5-16(2)10-17(3)6-8-20(37)13-23-30(35(46,18(4)36)33(44)31(23)42)22-15-27(41)26(40)14-21(22)29-32(43)28(47-34(29)45)12-19-7-9-24(38)25(39)11-19/h6-12,14-16,33,38-41,43-44,46H,5,13H2,1-4H3/b8-6+,17-10+,28-12-

  • Inchikey: KFMTUTLQSGURRM-MARNYXESSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H34O12

  • Molecular weight: 646.60

  • Monoisotopic mass: 646.20502652

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