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CHEBI:169335 - 9-Hydroxy-7-megastigmen-3-one glucoside

ChEBI IDCHEBI:169335
ChEBI Name9-Hydroxy-7-megastigmen-3-one glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O7
Net Charge0
Average Mass372.458
Monoisotopic Mass372.21480
SMILESCC(/C=C/C1C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C19H32O7/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/h5-6,10-11,13-18,20,22-24H,7-9H2,1-4H3/b6-5+
InChIKeyNLPBBNGDXNHAJP-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)
9-Hydroxy-7-megastigmen-3-one glucoside (CHEBI:169335) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,3,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one
Manual XrefsDatabases
HMDB0040701HMDB