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CHEBI:168683 - Patuletin 3-rhamnoside

ChEBI IDCHEBI:168683
ChEBI NamePatuletin 3-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(=O)c2c1O
InChIInChI=1S/C22H22O12/c1-7-14(26)17(29)18(30)22(32-7)34-21-16(28)13-12(6-11(25)20(31-2)15(13)27)33-19(21)8-3-4-9(23)10(24)5-8/h3-7,14,17-18,22-27,29-30H,1-2H3/t7?,14-,17?,18-,22-/m0/s1
InChIKeyHVLWQYAHDXFNSN-ISGYKXNISA-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)
Patuletin 3-rhamnoside (CHEBI:168683) is a flavonoids (CHEBI:72544)
Patuletin 3-rhamnoside (CHEBI:168683) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845507ChemSpider
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