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SM 216289

  • Formula: C28H18O14

  • Molecular weight: 578.40

  • Smiles: CC1=C(C=C2C(=C1C(=O)C)OC3=C(C2=O)C(=C(C(=C3)O)O)C(=O)O)C(=C4COC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)O

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SM 216289

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

Names

  • Mycotoxin name: SM 216289

  • First synonym: None

  • Synonyms: Xanthofulvin,151466-15-8,32KP529UK8,SM 216289,SPF 3059-1,UNII-32KP529UK8,5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-ylidene)-hydroxymethyl]-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid,5-Acetyl-7-((5-carboxy-6,7-dihydroxy-4-oxo-2H-1-benzopyran-3(4H)-ylidene)hydroxymethyl)-2,3-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid,9H-Xanthene-1-carboxylic acid, 5-acetyl-7-((5-carboxy-6,7-dihydroxy-4-oxo-2H-1-benzopyran-3(4H)-ylidene)hydroxymethyl)-2,3-dihydroxy-6-methyl-9-oxo-,5-Acetyl-7-(((3Z)-5-carboxy-6,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)(hydroxy)methyl)-2,3-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate,5-acetyl-7-((Z)-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-ylidene)-hydroxymethyl)-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid,5-Acetyl-7-{[(3Z)-5-carboxy-6,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene](hydroxy)methyl}-2,3-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate,SM-216289,SCHEMBL14003798,CHEBI:202169,SM216289

Identifiers / External links

Structure

  • Smiles: CC1=C(C=C2C(=C1C(=O)C)OC3=C(C2=O)C(=C(C(=C3)O)O)C(=O)O)C(=C4COC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)O

  • Isomeric smiles: CC1=C(C=C2C(=C1C(=O)C)OC3=C(C2=O)C(=C(C(=C3)O)O)C(=O)O)/C(=C/4\COC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)/O

  • Inchi: InChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-

  • Inchikey: VZJACTNXARYXEM-NHDPSOOVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H18O14

  • Molecular weight: 578.40

  • Monoisotopic mass: 578.06965524

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