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CHEBI:211826 - Trichoaurantianolide A

ChEBI IDCHEBI:211826
ChEBI NameTrichoaurantianolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESC=C(C=O)[C@]12C=C3C(=O)C[C@@H](C(C)C)[C@]3(C)C[C@H](OC(C)=O)[C@@]1(C)CC(=O)O2
InChIInChI=1S/C22H28O6/c1-12(2)15-7-17(25)16-8-22(13(3)11-23)21(6,10-19(26)28-22)18(27-14(4)24)9-20(15,16)5/h8,11-12,15,18H,3,7,9-10H2,1-2,4-6H3/t15-,18-,20-,21+,22+/m0/s1
InChIKeyVKBUNHQDYSZEBH-IKRQRYTESA-N
Species of MetaboliteComponentSourceComments
Tricholoma aurantium (ncbitaxon:181708) - DOI (10.1016/0040-4039(95)00109-p)
ChEBI Ontology
Outgoing Relation(s)
Trichoaurantianolide A (CHEBI:211826) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(3aR,4S,5aS,6S,9aS)-3a,5a-dimethyl-2,8-dioxo-9a-(3-oxoprop-1-en-2-yl)-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[5,6-b]uran-4-yl] acetate
Manual XrefsDatabases
8628285ChemSpider