CHEBI:225796 - Rubratoxin acid E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rubratoxin acid E
ChEBI ID CHEBI:225796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O7
Net Charge 0
Average Mass 476.610
Monoisotopic Mass 476.27740
InChI InChI=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
InChIKey GOPLCHHJWCAECO-LUYIRDKVSA-N
SMILES O=C1OC(=O)C2=C1C[C@H](C(=C(C(=O)O)C[C@@H](C2)CCCCCC)C(=O)O)CCCCCCCC
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing 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