CHEBI:204511 - Dhilirolide A

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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 Dhilirolide A
ChEBI ID CHEBI:204511
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O9
Net Charge 0
Average Mass 472.490
Monoisotopic Mass 472.17333
InChI InChI=1S/C25H28O9/c1-11-24-23(15(27)30-11)17(4)8-13-22(31-13)12(7-14(26)32-16(22,2)3)20(17)9-18(5,21(23)10-29-21)25(24,28)34-19(20,6)33-24/h7,11,13,28H,8-10H2,1-6H3/t11-,13+,17-,18+,19-,20?,21?,22-,23?,24?,25-/m0/s1
InChIKey AFTWYBGCXZDDHS-CMWPFNIWSA-N
SMILES O=C1OC([C@@]23O[C@@H]2C[C@]4(C5(C3=C1)[C@@]6(O[C@@]7(O)[C@@](C5)(C)C8(C49C(=O)O[C@H](C97O6)C)OC8)C)C)(C)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing Dhilirolide A (CHEBI:204511) is a organic heterotricyclic compound (CHEBI:26979)
Dhilirolide A (CHEBI:204511) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,4R,6S,12S,14R,15S,17S,20S)-15-hydroxy-2,7,7,14,17,20-hexamethylspiro[5,8,16,18,21-pentaoxaoctacyclo[12.8.1.01,19.02,12.04,6.06,11.012,17.015,19]tricos-10-ene-23,2'-oxirane]-9,22-dione