CHEBI:184078 - Naringin dihydrochalcone

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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 Naringin dihydrochalcone
ChEBI ID CHEBI:184078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O14
Net Charge 0
Average Mass 582.555
Monoisotopic Mass 582.19486
InChI InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey CWBZAESOUBENAP-QVNVHUMTSA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)CO)[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Naringin dihydrochalcone (CHEBI:184078) is a flavonoids (CHEBI:72544)
Naringin dihydrochalcone (CHEBI:184078) is a glycoside (CHEBI:24400)
IUPAC Name
1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Manual Xref Database
8070254 ChemSpider
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