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CHEBI:169480 - 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside

ChEBI IDCHEBI:169480
ChEBI Name3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILESCOc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(CC=C(C)C)c2c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C27H34O11/c1-12(2)4-9-15-16(36-27-24(34)22(32)20(30)18(11-28)37-27)10-17(35-3)19-21(31)23(33)25(38-26(15)19)13-5-7-14(29)8-6-13/h4-8,10,18,20-25,27-34H,9,11H2,1-3H3/t18?,20-,21+,22+,23+,24?,25-,27-/m1/s1
InChIKeyPGDJCLDVQNXSOE-VAAXDRJISA-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)
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside (CHEBI:169480) is a flavonoids (CHEBI:72544)
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside (CHEBI:169480) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2R,3S,4S)-3,4-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842623ChemSpider
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