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CHEBI:225786 - Rubratoxin acid C

ChEBI IDCHEBI:225786
ChEBI NameRubratoxin acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O8
Net Charge0
Average Mass490.593
Monoisotopic Mass490.25667
SMILESCCCCCCCC[C@@H]1CC2=C(C[C@@H](CCC/C=C/CO)C/C(C(=O)O)=C\1C(=O)O)C(=O)OC2=O
InChIInChI=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
InChIKeyDNJJFLDGXGVLGN-VANKGFECSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (31710490)
ChEBI Ontology
Outgoing Relation(s)
Rubratoxin acid C (CHEBI:225786) has functional parent tetracarboxylic acid (CHEBI:35742)
Rubratoxin acid C (CHEBI:225786) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(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