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CHEBI:168633 - 5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside

ChEBI IDCHEBI:168633
ChEBI Name5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O12
Net Charge0
Average Mass602.633
Monoisotopic Mass602.23633
SMILESCC(C)=CCc1ccc2c(c1O)C(=O)CC(c1ccc(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)C3O)cc1)O2
InChIInChI=1S/C31H38O12/c1-14(2)4-5-17-8-11-21-23(25(17)35)19(32)12-22(42-21)16-6-9-18(10-7-16)41-31-29(27(37)24(34)15(3)40-31)43-30-28(38)26(36)20(33)13-39-30/h4,6-11,15,20,22,24,26-31,33-38H,5,12-13H2,1-3H3/t15?,20-,22?,24+,26+,27?,28?,29+,30+,31+/m1/s1
InChIKeyZJJKXIQHONOIPV-ZPZDVOETSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside (CHEBI:168633) is a flavonoids (CHEBI:72544)
5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside (CHEBI:168633) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[4-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846271ChemSpider
LMPK12140101LIPID MAPS