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Methyl asterrate

  • Formula: C18H18O8

  • Molecular weight: 362.30

  • Smiles: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O

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Methyl asterrate

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

  • Mycotoxin name: Methyl asterrate

  • First synonym: Methyl asterrate

  • Synonyms: Methyl Asterrate,methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate,CHEMBL451989,MEGxm0_000386,ACon0_000931,ACon1_000170,CHEBI:181231,ZINC605688,MCULE-8414095730,NCGC00180813-01,59170-17-1,Methyl asterrate, >=95% (LC/MS-UV),L007435,BRD-K81747381-001-01-0,NCGC00180813-03!methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

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Structure

  • Smiles: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O

  • Isomeric smiles: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O

  • Inchi: InChI=1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3

  • Inchikey: KYDNOVLBVBYOSW-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H18O8

  • Molecular weight: 362.30

  • Monoisotopic mass: 362.10016753

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