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CHEBI:206217 - Lactarorufin E

ChEBI IDCHEBI:206217
ChEBI NameLactarorufin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC[C@H]1[C@H]2CC(C)(C)C[C@H]2[C@H](O)C2=C(C(=O)OC2)[C@@H]1O
InChIInChI=1S/C15H22O4/c1-7-8-4-15(2,3)5-9(8)13(17)10-6-19-14(18)11(10)12(7)16/h7-9,12-13,16-17H,4-6H2,1-3H3/t7-,8+,9+,12+,13-/m0/s1
InChIKeyARZSGVZNVGEBHV-ARUJTXBUSA-N
Species of MetaboliteComponentSourceComments
Lactarius (ncbitaxon:34444) - DOI (10.1016/s0040-4020(01)96895-4)
ChEBI Ontology
Outgoing Relation(s)
Lactarorufin E (CHEBI:206217) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(4R,5S,5aR,8aR,9S)-4,9-dihydroxy-5,7,7-trimethyl-1,4,5,5a,6,8,8a,9-octahydroazuleno[5,6-c]uran-3-one
Manual XrefsDatabases
78438399ChemSpider