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CHEBI:168938 - 5-Megastigmen-7-yne-3,9-diol 9-glucoside

ChEBI IDCHEBI:168938
ChEBI Name5-Megastigmen-7-yne-3,9-diol 9-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O7
Net Charge0
Average Mass370.442
Monoisotopic Mass370.19915
SMILESCC1=C(C#CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(O)C1
InChIInChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3
InChIKeyNVFMDEVKKYQMLD-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 9-glucoside (CHEBI:168938) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-(hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-yloxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0032841HMDB