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CHEBI:197606 - Talaroketal A

Default Structure
ChEBI IDCHEBI:197606
ChEBI NameTalaroketal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H30O11
Net Charge0
Average Mass626.614
Monoisotopic Mass626.17881
SMILESCC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c3c4c5c(c(O)cc(C)c5c12)C(=O)O[C@H]4C[C@]1(OC[C@H](C)[C@H]1C)O3
InChIInChI=1S/C35H30O11/c1-11-6-16(37)21-24-19(11)25-26-29(39)20-12(2)7-17(38)22-27(20)34(10-42-32(22)40,31(26)44-15(5)36)28(25)30-23(24)18(45-33(21)41)8-35(46-30)14(4)13(3)9-43-35/h6-7,13-14,18,26,31,37-38H,8-10H2,1-5H3/t13-,14+,18-,26-,31-,34-,35-/m0/s1
InChIKeyDRXWKPQGLRATIJ-CNQDJGARSA-N
Species of MetaboliteComponentSourceComments
Talaromyces stipitatus ATCC 10500 (ncbitaxon:441959) - PubMed (26837531)
ChEBI Ontology
Outgoing Relation(s)
Talaroketal A (CHEBI:197606) is a organic tricyclic compound (CHEBI:51959)
IUPAC Name 
[(3S,3'R,4'R,13R,22S,24S,28S)-8,18-dihydroxy-3',4',10,16-tetramethyl-6,12,20-trioxospiro[5,21,25-trioxaoctacyclo[13.10.2.13,7.13,13.02,14.019,27.022,26.011,29]nonacosa-1(26),2(14),7,9,11(29),15(27),16,18-octaene-24,2'-oxolane]-28-yl] acetate
Manual XrefsDatabases
78436240ChemSpider