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Monarubrin

  • Formula: C20H26O4

  • Molecular weight: 330.40

  • Smiles: CCCCCC(=O)CC1C=C2C=C(OC=C2C(=O)C1(C)O)C=CC

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Monarubrin

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

  • Mycotoxin name: Monarubrin

  • First synonym: None

  • Synonyms: Monarubrin

Identifiers / External links

Structure

  • Smiles: CCCCCC(=O)CC1C=C2C=C(OC=C2C(=O)C1(C)O)C=CC

  • Isomeric smiles: CCCCCC(=O)CC1C=C2C=C(OC=C2C(=O)C1(C)O)/C=C/C

  • Inchi: InChI=1S/C20H26O4/c1-4-6-7-9-16(21)12-15-10-14-11-17(8-5-2)24-13-18(14)19(22)20(15,3)23/h5,8,10-11,13,15,23H,4,6-7,9,12H2,1-3H3/b8-5+

  • Inchikey: MIHSWRHCWJWHMB-VMPITWQZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H26O4

  • Molecular weight: 330.40

  • Monoisotopic mass: 330.18310931

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