CHEBI:192853 - 6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin

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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 6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin
ChEBI ID CHEBI:192853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H28O15
Net Charge 0
Average Mass 592.506
Monoisotopic Mass 592.14282
InChI InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)
InChIKey ZALWWUJLKFBCQF-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)CC(O)(CC(O)=O)C
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing 6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin (CHEBI:192853) is a flavonoids (CHEBI:72544)
6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin (CHEBI:192853) is a glycoside (CHEBI:24400)
IUPAC Name
5-[[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual Xrefs Databases
23551006 ChemSpider
HMDB0041129 HMDB
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