EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168143 - 6-Epi-7-isocucurbic acid glucoside

ChEBI IDCHEBI:168143
ChEBI Name6-Epi-7-isocucurbic acid glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O8
Net Charge0
Average Mass374.430
Monoisotopic Mass374.19407
SMILESCC/C=C/CC1C(CC(=O)O)CCC1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3+
InChIKeyGJZJZRWFRZFTEE-ONEGZZNKSA-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)
6-Epi-7-isocucurbic acid glucoside (CHEBI:168143) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-[2-[(E)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid
Manual XrefsDatabases
HMDB0029782HMDB