9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside (CHEBI:175106)

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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	9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside

ChEBI ID	CHEBI:175106

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H32O8

Net Charge

Average Mass

388.457

Monoisotopic Mass

388.20972

InChI

InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3

InChIKey

ZZFQYZCZBBRLTI-UHFFFAOYSA-N

SMILES

O(C(CCC1C(CC(=O)C=C1CO)(C)C)C)C2OC(C(O)C(O)C2O)CO

ChEBI Ontology
Outgoing	9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside (CHEBI:175106) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

3-(hydroxymethyl)-5,5-dimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one