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CHEBI:185508 - 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside)

ChEBI IDCHEBI:185508
ChEBI Name3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O15
Net Charge0
Average Mass666.673
Monoisotopic Mass666.25237
SMILESCOc1cc(O)c(CC=C(C)C)c2c1[C@H](O[C@@H]1OC(CO[C@@H]3OC[C@@H](O)C(O)C3O)[C@@H](O)C(O)C1O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C32H42O15/c1-13(2)4-9-16-17(34)10-19(42-3)21-29(16)46-28(14-5-7-15(33)8-6-14)27(41)30(21)47-32-26(40)24(38)23(37)20(45-32)12-44-31-25(39)22(36)18(35)11-43-31/h4-8,10,18,20,22-28,30-41H,9,11-12H2,1-3H3/t18-,20?,22?,23-,24?,25?,26?,27-,28-,30+,31+,32+/m1/s1
InChIKeySGQQCSHVXAXBTJ-LYKRZKKFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside) (CHEBI:185508) is a flavonoids (CHEBI:72544)
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside) (CHEBI:185508) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,5S)-2-[[(2R,3R,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-6-[[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
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