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CHEBI:212947 - Talarodilactone B

ChEBI IDCHEBI:212947
ChEBI NameTalarodilactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O12
Net Charge0
Average Mass582.558
Monoisotopic Mass582.17373
SMILESC[C@H]1CCC[C@@H](OC(=O)[C@]2(CCC(=O)O)OC(=O)C(O)=C2c2ccccc2)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C30H30O12/c1-16-6-5-9-21(14-19(31)12-18-13-20(32)15-22(33)24(18)27(37)40-16)41-29(39)30(11-10-23(34)35)25(26(36)28(38)42-30)17-7-3-2-4-8-17/h2-4,7-8,13,15-16,21,32-33,36H,5-6,9-12,14H2,1H3,(H,34,35)/t16-,21+,30+/m0/s1
InChIKeyUCDWMSCIASSXFW-GMSNYQIQSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - PubMed (29135916)
ChEBI Ontology
Outgoing Relation(s)
Talarodilactone B (CHEBI:212947) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[(2R)-2-[[(4S,8R)-14,16-dihydroxy-4-methyl-2,10-dioxo-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]oxycarbonyl]-4-hydroxy-5-oxo-3-phenyluran-2-yl]propanoic acid
Manual XrefsDatabases
62816322ChemSpider