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CHEBI:181603 - 4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one

ChEBI IDCHEBI:181603
ChEBI Name4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O8
Net Charge0
Average Mass388.457
Monoisotopic Mass388.20972
SMILESCC(=O)CCC1=C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C
InChIInChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h12-18,20,22-25H,5-8H2,1-4H3/t12?,13-,14-,15+,16-,17?,18+/m1/s1
InChIKeyJVIDANAJZDBKRL-FJUMDGKUSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one (CHEBI:181603) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
Manual XrefsDatabases
29814513ChemSpider