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CHEBI:208614 - (4S,5R,5aR)-1,4-dihydroxy-5,7,7-trimethyl-1,4,5,5a,6,8-hexahydroazuleno[5,6-c]uran-3-one

ChEBI IDCHEBI:208614
ChEBI Name(4S,5R,5aR)-1,4-dihydroxy-5,7,7-trimethyl-1,4,5,5a,6,8-hexahydroazuleno[5,6-c]uran-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC[C@H]1[C@H](O)C2=C(C=C3CC(C)(C)C[C@@H]31)C(O)OC2=O
InChIInChI=1S/C15H20O4/c1-7-10-6-15(2,3)5-8(10)4-9-11(12(7)16)14(18)19-13(9)17/h4,7,10,12-13,16-17H,5-6H2,1-3H3/t7-,10-,12+,13?/m1/s1
InChIKeyYTGWVJSSFKXOEQ-LCGBYXHXSA-N
Species of MetaboliteComponentSourceComments
Lactifluus subvellereus (ncbitaxon:1837270) - DOI (10.1016/s0031-9422(97)00224-0)
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,5aR)-1,4-dihydroxy-5,7,7-trimethyl-1,4,5,5a,6,8-hexahydroazuleno[5,6-c]uran-3-one (CHEBI:208614) is a butenolide (CHEBI:50523)
IUPAC Name 
(4S,5R,5aR)-1,4-dihydroxy-5,7,7-trimethyl-1,4,5,5a,6,8-hexahydroazuleno[5,6-c]uran-3-one
Manual XrefsDatabases
78439713ChemSpider