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CHEBI:169794 - (3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside

ChEBI IDCHEBI:169794
ChEBI Name(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O7
Net Charge0
Average Mass370.442
Monoisotopic Mass370.19915
SMILESCC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(CO)C(O)C(O)C1O
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/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+
InChIKeySZOPSAFLRCYJCX-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)
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside (CHEBI:169794) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0036822HMDB