CHEBI:222855 - Tricholopardin 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 Tricholopardin A
ChEBI ID CHEBI:222855
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O5
Net Charge 0
Average Mass 420.590
Monoisotopic Mass 420.28757
InChI InChI=1S/C25H40O5/c1-17-7-9-19(21(2,3)20(17)15-26)10-8-18-11-12-25(28-16-18)23(6)13-14-24(27,30-25)22(4,5)29-23/h15,18-19,27H,7-14,16H2,1-6H3/t18-,19-,23-,24-,25-/m0/s1
InChIKey YVVBWHWZYRDAJE-ZGTHKHSNSA-N
SMILES O=CC1=C(CC[C@H](C1(C)C)CC[C@@H]2CO[C@]3(O[C@]4(O)C(C)(C)O[C@]3(CC4)C)CC2)C
Metabolite of Species Details
Tricholoma pardinum (NCBI:txid54540) See: PubMed
ChEBI Ontology
Outgoing Tricholopardin A (CHEBI:222855) is a ketal (CHEBI:59777)
IUPAC Name
(5R)-5-[2-[(1S,3S,3'S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde