EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168509 - Cinncassiol D1 glucoside

ChEBI IDCHEBI:168509
ChEBI NameCinncassiol D1 glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O10
Net Charge0
Average Mass514.612
Monoisotopic Mass514.27780
SMILESCC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(C)CC4(O)OC(C5C3CCC5(C)O)C2(O)C14C
InChIInChI=1S/C26H42O10/c1-11(9-34-21-19(30)18(29)17(28)14(8-27)35-21)13-7-15-22(2)10-25(32)24(13,4)26(15,33)20(36-25)16-12(22)5-6-23(16,3)31/h11-21,27-33H,5-10H2,1-4H3
InChIKeyWJAZMOBIGFGGIP-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 D1 glucoside (CHEBI:168509) 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-3,9,14-triol
Manual XrefsDatabases
HMDB0034677HMDB