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CHEBI:209948 - Talaromyolide B

ChEBI IDCHEBI:209948
ChEBI NameTalaromyolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O8
Net Charge0
Average Mass460.523
Monoisotopic Mass460.20972
SMILESCC(C)[C@@]12CC[C@]3(C)[C@]4(Cc5c(cc(O)c6c5[C@@H](O)[C@@H](C)OC6=O)O[C@]4(C)CC[C@]3(O)O1)O2
InChIInChI=1S/C25H32O8/c1-12(2)23-8-6-21(4)24(32-23)11-14-16(31-22(24,5)7-9-25(21,29)33-23)10-15(26)18-17(14)19(27)13(3)30-20(18)28/h10,12-13,19,26-27,29H,6-9,11H2,1-5H3/t13-,19+,21-,22-,23-,24+,25+/m1/s1
InChIKeyDJKJZONOTLNZPL-NIKYMOKWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (31364857)
ChEBI Ontology
Outgoing Relation(s)
Talaromyolide B (CHEBI:209948) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1S,5R,6R,14R,17S,19R,22R)-5,10,17-trihydroxy-6,14,22-trimethyl-19-propan-2-yl-7,13,18,23-tetraoxahexacyclo[17.3.1.01,14.03,12.04,9.017,22]tricosa-3(12),4(9),10-trien-8-one
Manual XrefsDatabases
78434501ChemSpider