CHEBI:185178 - Jaceidin 4'-glucuronide

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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 Jaceidin 4'-glucuronide
ChEBI ID CHEBI:185178
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24O14
Net Charge 0
Average Mass 536.442
Monoisotopic Mass 536.11661
InChI InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1
InChIKey IXUDTZUOBGRRSD-NKUGBYDDSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C(C=C2)C=3OC4=C(C(=O)C3OC)C(O)=C(OC)C(O)=C4)C(O)=O
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 Jaceidin 4'-glucuronide (CHEBI:185178) is a β-D-glucosiduronic acid (CHEBI:15341)
Jaceidin 4'-glucuronide (CHEBI:185178) is a flavonoids (CHEBI:72544)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
10306193 ChemSpider
HMDB0031656 HMDB
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