EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197734 - Trichoaurantianolide D

ChEBI IDCHEBI:197734
ChEBI NameTrichoaurantianolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESC=C1CO[C@H]2[C@H]3C(=O)C[C@H](C(C)C)[C@@]3(C)C[C@@H](OC(C)=O)[C@]3(C)CC(=O)O[C@]123
InChIInChI=1S/C22H30O6/c1-11(2)14-7-15(24)18-19-22(12(3)10-26-19)21(6,9-17(25)28-22)16(27-13(4)23)8-20(14,18)5/h11,14,16,18-19H,3,7-10H2,1-2,4-6H3/t14-,16-,18-,19+,20-,21+,22-/m1/s1
InChIKeyAEBQJOCVBDWEIY-RQMULEBPSA-N
Species of MetaboliteComponentSourceComments
Tricholoma aurantium (ncbitaxon:181708) - DOI (10.1016/0040-4039(95)00420-h)
ChEBI Ontology
Outgoing Relation(s)
Trichoaurantianolide D (CHEBI:197734) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,5S,6S,9R,10R,12R,13S)-10,13-dimethyl-2-methylidene-7,15-dioxo-9-propan-2-yl-4,16-dioxatetracyclo[11.3.0.01,5.06,10]hexadecan-12-yl] acetate
Manual XrefsDatabases
35000178ChemSpider