CHEBI:216889 - Talaromyolide E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Talaromyolide E
ChEBI ID CHEBI:216889
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O9
Net Charge 0
Average Mass 502.560
Monoisotopic Mass 502.22028
InChI InChI=1S/C27H34O9/c1-13(2)25-9-7-23(5)26(35-25)12-16-18(34-24(26,6)8-10-27(23,31)36-25)11-17(29)20-19(16)21(33-15(4)28)14(3)32-22(20)30/h11,13-14,21,29,31H,7-10,12H2,1-6H3/t14-,21+,23-,24-,25-,26+,27+/m1/s1
InChIKey SAKCFCRZWYVYFS-GBIFMYLOSA-N
SMILES O=C1O[C@@H]([C@H](OC(=O)C)C=2C1=C(O)C=C3O[C@@]4(CC[C@]5([C@]6([C@]4(CC23)O[C@](O5)(C(C)C)CC6)C)O)C)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: DOI
ChEBI Ontology
Outgoing Talaromyolide E (CHEBI:216889) is a xanthenes (CHEBI:38835)
IUPAC Name
[(1S,5R,6R,14R,17S,19R,22R)-10,17-dihydroxy-6,14,22-trimethyl-8-oxo-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-5-yl] acetate