CHEBI:177926 - 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-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 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside
ChEBI ID CHEBI:177926
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O13
Net Charge 0
Average Mass 482.394
Monoisotopic Mass 482.10604
InChI InChI=1S/C21H22O13/c22-6-13-17(30)18(31)19(32)21(33-13)34-20-14(10(25)5-12(27)16(20)29)15(28)11(26)4-7-1-2-8(23)9(24)3-7/h1-5,13,17-19,21-27,29-32H,6H2/b11-4-/t13-,17-,18-,19-,21+/m1/s1
InChIKey RJTJWBXACHKQNE-ZHSGHMAKSA-N
SMILES O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(C(O)=CC(O)=C2O)C(=O)\C(\O)=C\C3=CC(O)=C(O)C=C3)CO
Metabolite of Species Details
Bombyx mori (NCBI:txid7091) Found in hemolymph (BTO:0000572). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside (CHEBI:177926) is a flavonoids (CHEBI:72544)
3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside (CHEBI:177926) is a glycoside (CHEBI:24400)
IUPAC Name
(Z)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-[3,4,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
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24846025 ChemSpider
LMPK12120366 LIPID MAPS
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