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CHEBI:217990 - 1-[(2R,3R,3aR,6S,7R,7aS)-2,6,7-trihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-yl]-3-methylbutan-1-one

ChEBI IDCHEBI:217990
ChEBI Name1-[(2R,3R,3aR,6S,7R,7aS)-2,6,7-trihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-yl]-3-methylbutan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O5
Net Charge0
Average Mass286.368
Monoisotopic Mass286.17802
SMILESCC(C)CC(=O)[C@]1(O)O[C@H]2[C@H](CC[C@](C)(O)[C@@H]2O)[C@H]1C
InChIInChI=1S/C15H26O5/c1-8(2)7-11(16)15(19)9(3)10-5-6-14(4,18)13(17)12(10)20-15/h8-10,12-13,17-19H,5-7H2,1-4H3/t9-,10-,12+,13-,14+,15-/m1/s1
InChIKeyKKKOATVJCSRUJL-MDUHGFIHSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - PubMed (29959051)
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R,3aR,6S,7R,7aS)-2,6,7-trihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-yl]-3-methylbutan-1-one (CHEBI:217990) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-[(2R,3R,3aR,6S,7R,7aS)-2,6,7-trihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-yl]-3-methylbutan-1-one