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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside

ChEBI ID	CHEBI:169794

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H30O7

Net Charge

Average Mass

370.442

Monoisotopic Mass

370.19915

InChI

InChI=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+

InChIKey

SZOPSAFLRCYJCX-AATRIKPKSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC(\C=C\C2C(CC(=O)C=C2C)(C)C)C)CO

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	(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