EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168493 - 5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside

ChEBI IDCHEBI:168493
ChEBI Name5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O8
Net Charge0
Average Mass388.457
Monoisotopic Mass388.20972
SMILESCC(O)/C=C/C12OC1(C)CC(OC1OC(CO)C(O)C(O)C1O)CC2(C)C
InChIInChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+
InChIKeySMBCGBWABYMHIN-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)
5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside (CHEBI:168493) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[[6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0031676HMDB