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CHEBI:225781 - Rubratoxin acid B

Default Structure
ChEBI IDCHEBI:225781
ChEBI NameRubratoxin acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O11
Net Charge0
Average Mass526.579
Monoisotopic Mass526.24141
SMILESCCCCCC[C@H](O)[C@@H]1/C(C(=O)O)=C(/C(=O)O)C[C@H]([C@@H](O)[C@H](O)CCCC)CC2=C(C(=O)OC2=O)[C@H]1O
InChIInChI=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
InChIKeyVDOFXRXPIGETKV-ZHYFBHNKSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (31710490)
ChEBI Ontology
Outgoing Relation(s)
Rubratoxin acid B (CHEBI:225781) has functional parent tetracarboxylic acid (CHEBI:35742)
Rubratoxin acid B (CHEBI:225781) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(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