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rubratoxin acid C

  • Formula: C27H38O8

  • Molecular weight: 490.60

  • Smiles: CCCCCCCCC1CC2=C(CC(CC(=C1C(=O)O)C(=O)O)CCCC=CCO)C(=O)OC2=O

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rubratoxin acid C

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

Names

  • Mycotoxin name: rubratoxin acid C

  • First synonym: None

  • Synonyms: Rubratoxin acid C,(5R,6Z,9S)-9-((E)-6-hydroxyhex-4-enyl)-5-octyl-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona(c)furan-6,7-dicarboxylic acid,(5R,6Z,9S)-9-[(E)-6-hydroxyhex-4-enyl]-5-octyl-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]furan-6,7-dicarboxylic acid,(5R,9S)-9-((4E)-6-Hydroxyhex-4-en-1-yl)-5-octyl-1,3-dioxo-1H,3H,4H,5H,8H,9H,10H-cyclonona(c)furan-6,7-dicarboxylate,(5R,9S)-9-[(4E)-6-Hydroxyhex-4-en-1-yl]-5-octyl-1,3-dioxo-1H,3H,4H,5H,8H,9H,10H-cyclonona[c]furan-6,7-dicarboxylate,CHEBI:225786,(5R,6Z,9S)-9-[(E)-6-hydroxyhex-4-enyl]-5-octyl-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]uran-6,7-dicarboxylic acid

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Structure

  • Smiles: CCCCCCCCC1CC2=C(CC(CC(=C1C(=O)O)C(=O)O)CCCC=CCO)C(=O)OC2=O

  • Isomeric smiles: CCCCCCCC[C@@H]/1CC2=C(C[C@H](C/C(=C1/C(=O)O)/C(=O)O)CCC/C=C/CO)C(=O)OC2=O

  • Inchi: InChI=1S/C27H38O8/c1-2-3-4-5-6-10-13-19-17-21-20(26(33)35-27(21)34)15-18(12-9-7-8-11-14-28)16-22(24(29)30)23(19)25(31)32/h8,11,18-19,28H,2-7,9-10,12-17H2,1H3,(H,29,30)(H,31,32)/b11-8+,23-22-/t18-,19-/m1/s1

  • Inchikey: DNJJFLDGXGVLGN-VANKGFECSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H38O8

  • Molecular weight: 490.60

  • Monoisotopic mass: 490.25666817

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