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Lunatoic acid b

  • Formula: C21H26O7

  • Molecular weight: 390.40

  • Smiles: CCC(C)CC(C)C(=O)OC1C2=COC(=CC2=CC(=O)C1(C)O)C=CC(=O)O

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Lunatoic acid b

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

Names

  • Mycotoxin name: Lunatoic acid b

  • First synonym: Lunatoic acid b

  • Synonyms: Lunatoic acid B,65745-49-5

Identifiers / External links

Structure

  • Smiles: CCC(C)CC(C)C(=O)OC1C2=COC(=CC2=CC(=O)C1(C)O)C=CC(=O)O

  • Isomeric smiles: CC[C@H](C)C[C@H](C)C(=O)O[C@@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)/C=C/C(=O)O

  • Inchi: InChI=1S/C21H26O7/c1-5-12(2)8-13(3)20(25)28-19-16-11-27-15(6-7-18(23)24)9-14(16)10-17(22)21(19,4)26/h6-7,9-13,19,26H,5,8H2,1-4H3,(H,23,24)/b7-6+/t12-,13-,19+,21-/m0/s1

  • Inchikey: RLICWTXAOKQGIK-SNHOBTOISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H26O7

  • Molecular weight: 390.40

  • Monoisotopic mass: 390.16785316

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