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CHEBI:169302 - Sonchuionoside C

ChEBI IDCHEBI:169302
ChEBI NameSonchuionoside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O8
Net Charge0
Average Mass386.441
Monoisotopic Mass386.19407
SMILESCC(=O)/C=C/C1=C(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)CC1(C)C
InChIInChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+
InChIKeyBLQCWBCWZFDGBW-AATRIKPKSA-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)
Sonchuionoside C (CHEBI:169302) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(E)-4-[3-hydroxy-2,6,6-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
Manual XrefsDatabases
HMDB0035212HMDB