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Uredinorubellin i

  • Formula: C30H22O10

  • Molecular weight: 542.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3(C(C=CC4C3(C2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O

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Uredinorubellin i

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

Names

  • Mycotoxin name: Uredinorubellin i

  • First synonym: Uredinorubellin i

  • Synonyms: uredinorubellin I

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3(C(C=CC4C3(C2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3([C@@H](C=C[C@H]4[C@]3([C@H]2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O

  • Inchi: InChI=1S/C30H22O10/c1-10-6-12-20(16(33)7-10)28(39)30(40)18(35)5-2-13-19-11(9-29(13,30)27(12)38)8-17(34)23-24(19)26(37)22-15(32)4-3-14(31)21(22)25(23)36/h2-8,13,18,27,31-35,38,40H,9H2,1H3/t13-,18-,27+,29+,30?/m1/s1

  • Inchikey: GFXZZUIOUAYGTP-JHGAZYLISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H22O10

  • Molecular weight: 542.50

  • Monoisotopic mass: 542.12129689

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