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CHEBI:166634 - Nevadensin 5-gentiobioside

ChEBI IDCHEBI:166634
ChEBI NameNevadensin 5-gentiobioside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O17
Net Charge0
Average Mass668.601
Monoisotopic Mass668.19525
SMILESCOc1ccc(-c2cc(=O)c3c(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)c(OC)c(O)c(OC)c3o2)cc1
InChIInChI=1S/C30H36O17/c1-40-12-6-4-11(5-7-12)14-8-13(32)17-25(44-14)27(41-2)24(39)28(42-3)26(17)47-30-23(38)21(36)19(34)16(46-30)10-43-29-22(37)20(35)18(33)15(9-31)45-29/h4-8,15-16,18-23,29-31,33-39H,9-10H2,1-3H3/t15?,16?,18-,19-,20+,21+,22?,23?,29-,30+/m1/s1
InChIKeyPDOZWYOOYIYRHV-NEHFFKJBSA-N
ChEBI Ontology
Outgoing Relation(s)
Nevadensin 5-gentiobioside (CHEBI:166634) is a flavonoids (CHEBI:72544)
Nevadensin 5-gentiobioside (CHEBI:166634) is a glycoside (CHEBI:24400)
IUPAC Name 
7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-5-[(2S,4S,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
24844280ChemSpider
LMPK12111439LIPID MAPS