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CHEBI:225796 - Rubratoxin acid E

ChEBI IDCHEBI:225796
ChEBI NameRubratoxin acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O7
Net Charge0
Average Mass476.610
Monoisotopic Mass476.27740
SMILESCCCCCCCC[C@@H]1CC2=C(C[C@@H](CCCCCC)C/C(C(=O)O)=C\1C(=O)O)C(=O)OC2=O
InChIInChI=1S/C27H40O7/c1-3-5-7-9-10-12-14-19-17-21-20(26(32)34-27(21)33)15-18(13-11-8-6-4-2)16-22(24(28)29)23(19)25(30)31/h18-19H,3-17H2,1-2H3,(H,28,29)(H,30,31)/b23-22-/t18-,19-/m1/s1
InChIKeyGOPLCHHJWCAECO-LUYIRDKVSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (31710490)
ChEBI Ontology
Outgoing Relation(s)
Rubratoxin acid E (CHEBI:225796) has functional parent tetracarboxylic acid (CHEBI:35742)
Rubratoxin acid E (CHEBI:225796) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(5R,6Z,9S)-9-hexyl-5-octyl-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]uran-6,7-dicarboxylic acid