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CHEBI:168046 - Lyciumoside IX

ChEBI IDCHEBI:168046
ChEBI NameLyciumoside IX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O15
Net Charge0
Average Mass716.818
Monoisotopic Mass716.36192
SMILESC=CC(C)(CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)COC1OC(CO)C(O)C(O)C1O)OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O
InChIInChI=1S/C35H56O15/c1-6-35(5,50-34-32(45)30(43)28(41)24(49-34)19-46-26(39)16-25(37)38)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)18-47-33-31(44)29(42)27(40)23(17-36)48-33/h6,10,13-14,23-24,27-34,36,40-45H,1,7-9,11-12,15-19H2,2-5H3,(H,37,38)/b20-10-,21-14+,22-13+
InChIKeyYBNJPPHBFMDKTB-AFAFYZGOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Lyciumoside IX (CHEBI:168046) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
3-oxo-3-[[3,4,5-trihydroxy-6-[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-1,6,10,14-tetraen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
HMDB0033502HMDB