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CHEBI:168309 - Cinncassiol D2 glucoside

ChEBI IDCHEBI:168309
ChEBI NameCinncassiol D2 glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O11
Net Charge0
Average Mass530.611
Monoisotopic Mass530.27271
SMILESCC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(C)CC4(O)OC(C5C(C)(O)CCC53O)C2(O)C14C
InChIInChI=1S/C26H42O11/c1-11(9-35-20-17(30)16(29)15(28)13(8-27)36-20)12-7-14-21(2)10-25(33)23(12,4)26(14,34)19(37-25)18-22(3,31)5-6-24(18,21)32/h11-20,27-34H,5-10H2,1-4H3
InChIKeyUPEGWQJBOXUCSZ-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 D2 glucoside (CHEBI:168309) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
3,7,10-trimethyl-11-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-3,6,9,14-tetrol
Manual XrefsDatabases
HMDB0034679HMDB