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CHEBI:216382 - Trichoaurantianolide B

ChEBI IDCHEBI:216382
ChEBI NameTrichoaurantianolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C(CO)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)C[C@@H](O)[C@]1(C)CC(=O)O2
InChIInChI=1S/C20H28O5/c1-11(2)13-6-15(22)14-7-20(12(3)10-21)19(5,9-17(24)25-20)16(23)8-18(13,14)4/h7,11,13,16,21,23H,3,6,8-10H2,1-2,4-5H3/t13-,16-,18-,19+,20+/m1/s1
InChIKeyLAUXGJSHPLNZHD-GQJWIHHCSA-N
Species of MetaboliteComponentSourceComments
Tricholoma aurantium (ncbitaxon:181708) - DOI (10.1016/0040-4039(95)00420-h)
ChEBI Ontology
Outgoing Relation(s)
Trichoaurantianolide B (CHEBI:216382) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3aS,4R,5aR,6R,9aS)-4-hydroxy-9a-(3-hydroxyprop-1-en-2-yl)-3a,5a-dimethyl-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[7,6-b]uran-2,8-dione
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78443581ChemSpider