CHEBI:187625 - Phellatin

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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 Phellatin
ChEBI ID CHEBI:187625
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H30O12
Net Charge 0
Average Mass 534.514
Monoisotopic Mass 534.17373
InChI InChI=1S/C26H30O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21,23,25,27-30,32-35H,7-8,10H2,1-2H3/t16?,19-,21+,23?,25-/m1/s1
InChIKey BQLZQPGWNVTIHR-AWGWVDLJSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(CCC(O)(C)C)C(O)=C3C(OC(=C(O)C3=O)C4=CC=C(O)C=C4)=C2)CO
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 Phellatin (CHEBI:187625) is a flavonoids (CHEBI:72544)
Phellatin (CHEBI:187625) is a glycoside (CHEBI:24400)
IUPAC Name
3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24844453 ChemSpider
LMPK12111709 LIPID MAPS
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