CHEBI:166600 - Chalconaringenin 2',4'-di-O-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 Chalconaringenin 2',4'-di-O-glucoside
ChEBI ID CHEBI:166600
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O15
Net Charge 0
Average Mass 596.538
Monoisotopic Mass 596.17412
InChI InChI=1S/C27H32O15/c28-9-17-20(33)22(35)24(37)26(41-17)39-13-7-15(32)19(14(31)6-3-11-1-4-12(30)5-2-11)16(8-13)40-27-25(38)23(36)21(34)18(10-29)42-27/h1-8,17-18,20-30,32-38H,9-10H2/b6-3+/t17?,18?,20-,21-,22+,23+,24?,25?,26-,27-/m1/s1
InChIKey QTLVRDBUJNNTDS-PSJWTLRASA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)=CC(O)=C2C(=O)/C=C/C4=CC=C(O)C=C4)CO
ChEBI Ontology
Outgoing Chalconaringenin 2',4'-di-O-glucoside (CHEBI:166600) is a flavonoids (CHEBI:72544)
Chalconaringenin 2',4'-di-O-glucoside (CHEBI:166600) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-1-[2-hydroxy-4,6-bis[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Manual Xrefs Databases
24845977 ChemSpider
LMPK12120254 LIPID MAPS
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