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Rugulotrosin b

  • Formula: C32H30O14

  • Molecular weight: 638.60

  • Smiles: CC1=CC(=C2C(=C3C(=O)CCC(C3(OC2=C1C4=C(C5=C(C=C4C)OC6(C(CCC(=O)C6=C5O)O)C(=O)OC)O)C(=O)OC)O)O)O

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Rugulotrosin b

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

Names

  • Mycotoxin name: Rugulotrosin b

  • First synonym: Rugulotrosin b

  • Synonyms: rugulotrosin B,CHEMBL504672

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C2C(=C3C(=O)CCC(C3(OC2=C1C4=C(C5=C(C=C4C)OC6(C(CCC(=O)C6=C5O)O)C(=O)OC)O)C(=O)OC)O)O)O

  • Isomeric smiles: CC1=CC(=C2C(=C3C(=O)CC[C@@H]([C@]3(OC2=C1C4=C(C5=C(C=C4C)O[C@@]6([C@H](CCC(=O)C6=C5O)O)C(=O)OC)O)C(=O)OC)O)O)O

  • Inchi: InChI=1S/C32H30O14/c1-11-9-15(35)21-26(39)23-13(33)6-8-18(37)32(23,30(42)44-4)46-28(21)20(11)19-12(2)10-16-22(25(19)38)27(40)24-14(34)5-7-17(36)31(24,45-16)29(41)43-3/h9-10,17-18,35-40H,5-8H2,1-4H3/t17-,18-,31+,32+/m0/s1

  • Inchikey: ZXYUFJPVTZIRBI-WOQPHPHSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H30O14

  • Molecular weight: 638.60

  • Monoisotopic mass: 638.16355563

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