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CHEBI:212718 - 6-O-acety-trichaurantin

ChEBI IDCHEBI:212718
ChEBI Name6-O-acety-trichaurantin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESC=C(CO)[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/C22H30O6/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/h8,12,15,18,23H,3,7,9-11H2,1-2,4-6H3/t15-,18-,20-,21+,22+/m1/s1
InChIKeySTMKHZRFNMEWNB-CBJWALPMSA-N
Species of MetaboliteComponentSourceComments
Tricholomaspecies (ncbitaxon:1745201) - DOI (10.1002/jlac.199519950111)
ChEBI Ontology
Outgoing Relation(s)
6-O-acety-trichaurantin (CHEBI:212718) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(3aS,4R,5aR,6R,9aS)-9a-(3-hydroxyprop-1-en-2-yl)-3a,5a-dimethyl-2,8-dioxo-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[5,6-b]uran-4-yl] acetate
Manual XrefsDatabases
78437473ChemSpider