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CHEBI:192004 - Patuletin 3-gentiobioside

ChEBI IDCHEBI:192004
ChEBI NamePatuletin 3-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O18
Net Charge0
Average Mass656.546
Monoisotopic Mass656.15886
SMILESCOc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(=O)c2c1O
InChIInChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3/t13?,14?,16-,17-,20+,21?,22?,23?,27-,28-/m1/s1
InChIKeyWRDDFOFFQDOVRV-PYZAJPOXSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Patuletin 3-gentiobioside (CHEBI:192004) is a flavonoids (CHEBI:72544)
Patuletin 3-gentiobioside (CHEBI:192004) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[(2R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845490ChemSpider
LMPK12112893LIPID MAPS