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CHEBI:168282 - 5-Megastigmen-7-yne-3,9-diol 3-glucoside

ChEBI IDCHEBI:168282
ChEBI Name5-Megastigmen-7-yne-3,9-diol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O7
Net Charge0
Average Mass370.442
Monoisotopic Mass370.19915
SMILESCC1=C(C#CC(C)O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1
InChIInChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3
InChIKeyXIRQNNSWPUAAHR-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)
5-Megastigmen-7-yne-3,9-diol 3-glucoside (CHEBI:168282) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[4-(3-hydroxybut-1-ynyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0032842HMDB