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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]
ChEBI ID CHEBI:186093
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H28O14
Net Charge 0
Average Mass 576.507
Monoisotopic Mass 576.14791
InChI InChI=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
InChIKey WWGLAVUKYJELNJ-XVNLUTQYSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)(CC(O)=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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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