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CHEBI:169333 - Cinncassiol D4 2-glucoside

ChEBI IDCHEBI:169333
ChEBI NameCinncassiol D4 2-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O10
Net Charge0
Average Mass514.612
Monoisotopic Mass514.27780
SMILESCC(C)C1CC2C3(C)CC4(O)OC(C5C(C)C(OC6OC(CO)C(O)C(O)C6O)CC53O)C2(O)C14C
InChIInChI=1S/C26H42O10/c1-10(2)12-6-15-22(4)9-25(32)23(12,5)26(15,33)20(36-25)16-11(3)13(7-24(16,22)31)34-21-19(30)18(29)17(28)14(8-27)35-21/h10-21,27-33H,6-9H2,1-5H3
InChIKeyISSKLTGTEWBALZ-UHFFFAOYSA-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)
Cinncassiol D4 2-glucoside (CHEBI:169333) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
3,7,10-trimethyl-11-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-triol
Manual XrefsDatabases
HMDB0035065HMDB