EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168653 - Eriojaposide A

ChEBI IDCHEBI:168653
ChEBI NameEriojaposide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O11
Net Charge0
Average Mass502.557
Monoisotopic Mass502.24141
SMILESCC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+
InChIKeyFFYPJOJFUJFYAT-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)
Eriojaposide A (CHEBI:168653) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
22913647ChemSpider
HMDB0038028HMDB