rubratoxin acid B

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rubratoxin acid B

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: rubratoxin acid B
First synonym: None
Synonyms: Rubratoxin acid B,(4S,5S,6Z,9S)-9-((1R,2R)-1,2-dihydroxyhexyl)-4-hydroxy-5-((1S)-1-hydroxyheptyl)-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona(c)furan-6,7-dicarboxylic acid,(4S,5S,6Z,9S)-9-[(1R,2R)-1,2-dihydroxyhexyl]-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]furan-6,7-dicarboxylic acid,(4S,5S,9S)-9-((1R,2R)-1,2-Dihydroxyhexyl)-4-hydroxy-5-((1S)-1-hydroxyheptyl)-1,3-dioxo-1H,3H,4H,5H,8H,9H,10H-cyclonona(c)furan-6,7-dicarboxylate,(4S,5S,9S)-9-[(1R,2R)-1,2-Dihydroxyhexyl]-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-1,3-dioxo-1H,3H,4H,5H,8H,9H,10H-cyclonona[c]furan-6,7-dicarboxylate,CHEMBL4561475,CHEBI:225781,(4S,5S,6Z,9S)-9-[(1R,2R)-1,2-dihydroxyhexyl]-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]uran-6,7-dicarboxylic acid

Smiles: CCCCCCC(C1C(C2=C(CC(CC(=C1C(=O)O)C(=O)O)C(C(CCCC)O)O)C(=O)OC2=O)O)O
Isomeric smiles: CCCCCC[C@@H]([C@H]/1[C@@H](C2=C(C[C@H](C/C(=C1/C(=O)O)/C(=O)O)[C@H]([C@@H](CCCC)O)O)C(=O)OC2=O)O)O
Inchi: InChI=1S/C26H38O11/c1-3-5-7-8-10-16(27)20-18(24(33)34)14(23(31)32)11-13(21(29)17(28)9-6-4-2)12-15-19(22(20)30)26(36)37-25(15)35/h13,16-17,20-22,27-30H,3-12H2,1-2H3,(H,31,32)(H,33,34)/b18-14-/t13-,16-,17+,20+,21+,22+/m0/s1
Inchikey: VDOFXRXPIGETKV-ZHYFBHNKSA-N

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