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CHEBI:187059 - Luteolin 7-gentiobioside

ChEBI IDCHEBI:187059
ChEBI NameLuteolin 7-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)cc(O)c12
InChIInChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21+,22-,23-,24?,25?,26+,27+/m0/s1
InChIKeyLDTDRTSKWGQBAA-XMSKAULVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Luteolin 7-gentiobioside (CHEBI:187059) is a flavonoids (CHEBI:72544)
Luteolin 7-gentiobioside (CHEBI:187059) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24843690ChemSpider
LMPK12110660LIPID MAPS