CHEBI:189500 - Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-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 Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside
ChEBI ID CHEBI:189500
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O13
Net Charge 0
Average Mass 550.513
Monoisotopic Mass 550.16864
InChI InChI=1S/C26H30O13/c27-9-19-20(30)21(31)22(32)24(39-19)36-13-3-1-12(2-4-13)17-8-16(29)15-6-5-14(7-18(15)38-17)37-25-23(33)26(34,10-28)11-35-25/h1-7,17,19-25,27-28,30-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1
InChIKey KEABDZDFSMGRQX-DWMQJYMWSA-N
SMILES O1[C@@H](OC2=CC=3O[C@@H](CC(=O)C3C=C2)C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C=C4)[C@H](O)[C@](O)(C1)CO
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside (CHEBI:189500) is a flavonoids (CHEBI:72544)
Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside (CHEBI:189500) is a glycoside (CHEBI:24400)
IUPAC Name
(2S)-7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Manual Xref Database
34451121 ChemSpider
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