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Uredinorubellin ii

  • Formula: C30H22O9

  • Molecular weight: 526.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3(C(C=CC4C3(C2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C6=O)C(=CC=C7)O)O)O)O

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Uredinorubellin ii

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

Names

  • Mycotoxin name: Uredinorubellin ii

  • First synonym: Uredinorubellin ii

  • Synonyms: uredinorubellin II

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(C6=O)C(=CC=C7)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(C6=O)C(=CC=C7)O)O)O)O

  • Inchi: InChI=1S/C30H22O9/c1-11-7-14-22(17(32)8-11)28(38)30(39)19(34)6-5-15-20-12(10-29(15,30)27(14)37)9-18(33)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,19,27,31-34,37,39H,10H2,1H3/t15-,19-,27+,29+,30?/m1/s1

  • Inchikey: HBMRSLQYJBXZBW-XISTVOSQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H22O9

  • Molecular weight: 526.50

  • Monoisotopic mass: 526.12638228

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