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CHEBI:186093 - Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]

ChEBI IDCHEBI:186093
ChEBI NameApigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O14
Net Charge0
Average Mass576.507
Monoisotopic Mass576.14791
SMILESCC(O)(CC(=O)O)CC(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19?,23-,24+,25?,26-,27?/m1/s1
InChIKeyWWGLAVUKYJELNJ-XVNLUTQYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside] (CHEBI:186093) is a flavonoids (CHEBI:72544)
Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside] (CHEBI:186093) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-3-methyl-5-oxo-5-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid
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