Methylpicraquassioside A (CHEBI:168202)

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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	Methylpicraquassioside A

ChEBI ID	CHEBI:168202

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24O10

Net Charge

Average Mass

412.391

Monoisotopic Mass

412.13695

InChI

InChI=1S/C19H24O10/c1-25-14(21)4-3-9-12(7-11-10(5-6-27-11)18(9)26-2)28-19-17(24)16(23)15(22)13(8-20)29-19/h5-7,13,15-17,19-20,22-24H,3-4,8H2,1-2H3

InChIKey

YCIAHAYEVBEGKT-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC2=C(CCC(OC)=O)C(OC)=C3C(OC=C3)=C2)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	Methylpicraquassioside A (CHEBI:168202) is a glycoside (CHEBI:24400)

IUPAC Name

methyl 3-[4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-5-yl]propanoate