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CHEBI:212943 - Talarodilactone A

ChEBI IDCHEBI:212943
ChEBI NameTalarodilactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O12
Net Charge0
Average Mass596.585
Monoisotopic Mass596.18938
SMILESCOC(=O)CC[C@@]1(C(=O)O[C@H]2CCC[C@H](C)OC(=O)c3c(O)cc(O)cc3CC(=O)C2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C31H32O12/c1-17-7-6-10-22(15-20(32)13-19-14-21(33)16-23(34)25(19)28(37)41-17)42-30(39)31(12-11-24(35)40-2)26(27(36)29(38)43-31)18-8-4-3-5-9-18/h3-5,8-9,14,16-17,22,33-34,36H,6-7,10-13,15H2,1-2H3/t17-,22-,31+/m0/s1
InChIKeyFZQBVILAADTZJV-NQVYGRNNSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - PubMed (29135916)
ChEBI Ontology
Outgoing Relation(s)
Talarodilactone A (CHEBI:212943) is a macrolide (CHEBI:25106)
IUPAC Name 
[(4S,8S)-14,16-dihydroxy-4-methyl-2,10-dioxo-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl] (2R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxo-3-phenyluran-2-carboxylate
Manual XrefsDatabases
62816321ChemSpider