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CHEBI:222855 - Tricholopardin A

ChEBI IDCHEBI:222855
ChEBI NameTricholopardin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O5
Net Charge0
Average Mass420.590
Monoisotopic Mass420.28757
SMILESCC1=C(C=O)C(C)(C)[C@H](CC[C@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)CC1
InChIInChI=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
InChIKeyYVVBWHWZYRDAJE-ZGTHKHSNSA-N
Species of MetaboliteComponentSourceComments
Tricholoma pardinum (ncbitaxon:54540) - PubMed (30629435)
ChEBI Ontology
Outgoing Relation(s)
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