CHEBI:168188 - Vomifoliol 9-[xylosyl-(1->6)-glucoside]

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ChEBI Name Vomifoliol 9-[xylosyl-(1->6)-glucoside]
ChEBI ID CHEBI:168188
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O12
Net Charge 0
Average Mass 518.556
Monoisotopic Mass 518.23633
InChI InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+
InChIKey ZHAMWJWQXSZIAQ-AATRIKPKSA-N
SMILES O1C(C(O)C(O)C(O)C1OC(\C=C\C2(O)C(CC(=O)C=C2C)(C)C)C)COC3OCC(O)C(O)C3O
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 Vomifoliol 9-[xylosyl-(1->6)-glucoside] (CHEBI:168188) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Manual Xref Database
HMDB0035520 HMDB
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