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CHEBI:216912 - Talaromyolide I

ChEBI IDCHEBI:216912
ChEBI NameTalaromyolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O7
Net Charge0
Average Mass442.508
Monoisotopic Mass442.19915
SMILESCC(C)C1=CC[C@@]2(C)C(=O)CC[C@@]3(C)Oc4cc(O)c5c(c4C[C@@]32O1)[C@@H](O)[C@@H](C)OC5=O
InChIInChI=1S/C25H30O7/c1-12(2)16-6-8-23(4)18(27)7-9-24(5)25(23,32-16)11-14-17(31-24)10-15(26)20-19(14)21(28)13(3)30-22(20)29/h6,10,12-13,21,26,28H,7-9,11H2,1-5H3/t13-,21+,23+,24-,25+/m1/s1
InChIKeyJBQHKAMVUHMEJR-DJDXMLRWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - DOI (10.1016/j.tet.2020.131349)
ChEBI Ontology
Outgoing Relation(s)
Talaromyolide I (CHEBI:216912) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1S,5R,6R,14R,18R)-5,10-dihydroxy-6,14,18-trimethyl-21-propan-2-yl-7,13,22-trioxapentacyclo[12.8.0.01,18.03,12.04,9]docosa-3(12),4(9),10,20-tetraene-8,17-dione