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Lunatoic acid A

  • Formula: C21H24O7

  • Molecular weight: 388.40

  • Smiles: CCC(C)CC(C)C(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C=CC(=O)O)C

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Lunatoic acid A

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

  • Mycotoxin name: Lunatoic acid A

  • First synonym: None

  • Synonyms: Lunatoic acid A,CHEBI:204972,(E)-3-[(7S)-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid

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Structure

  • Smiles: CCC(C)CC(C)C(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C=CC(=O)O)C

  • Isomeric smiles: CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C(=O)C=C2C=C(OC=C2C1=O)/C=C/C(=O)O)C

  • Inchi: InChI=1S/C21H24O7/c1-5-12(2)8-13(3)20(26)28-21(4)17(22)10-14-9-15(6-7-18(23)24)27-11-16(14)19(21)25/h6-7,9-13H,5,8H2,1-4H3,(H,23,24)/b7-6+/t12-,13-,21-/m0/s1

  • Inchikey: OLWIMRNZAPOZHB-BMNIYZFNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H24O7

  • Molecular weight: 388.40

  • Monoisotopic mass: 388.1522031

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