Corchoionol C 9-glucoside (CHEBI:168230)

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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	Corchoionol C 9-glucoside

ChEBI ID	CHEBI:168230

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H30O8

Net Charge

Average Mass

386.441

Monoisotopic Mass

386.19407

InChI

InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+

InChIKey

SWYRVCGNMNAFEK-AATRIKPKSA-N

SMILES

O1C(OC(\C=C\C2(O)C(CC(=O)C=C2C)(C)C)C)C(O)C(O)C(O)C1CO

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	Corchoionol C 9-glucoside (CHEBI:168230) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one