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CHEBI:227109 - Talaromycesone A

ChEBI IDCHEBI:227109
ChEBI NameTalaromycesone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H24O11
Net Charge0
Average Mass548.500
Monoisotopic Mass548.13186
SMILESCO[C@@]12c3c(C)cc(O)c4c(=O)oc(O)c(c34)C[C@@H]1C13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@H]3OC(C)=O
InChIInChI=1S/C29H24O11/c1-9-5-14(32)19-21-16(9)23(33)22-24(39-11(3)30)28(21,8-38-26(19)35)15-7-12-17-18(27(36)40-25(12)34)13(31)6-10(2)20(17)29(15,22)37-4/h5-6,15,22,24,31-32,34H,7-8H2,1-4H3/t15-,22+,24-,28?,29-/m1/s1
InChIKeyYIZTWZUVIZZEGP-DDEKZROSSA-N
Species of MetaboliteComponentSourceComments
Talaromycesspecies (ncbitaxon:1707706) - PubMed (25108548)
ChEBI Ontology
Outgoing Relation(s)
Talaromycesone A (CHEBI:227109) is a isocoumarins (CHEBI:38758)
IUPAC Name 
[(2R,13S,14S,24R)-5,9,19-trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl] acetate
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40256708ChemSpider