CHEBI:192030 - 2''-(6-Acetylglucosyl)astragalin

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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 2''-(6-Acetylglucosyl)astragalin
ChEBI ID CHEBI:192030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O17
Net Charge 0
Average Mass 652.558
Monoisotopic Mass 652.16395
InChI InChI=1S/C29H32O17/c1-10(31)41-9-17-20(36)22(38)24(40)28(44-17)46-27-23(39)19(35)16(8-30)43-29(27)45-26-21(37)18-14(34)6-13(33)7-15(18)42-25(26)11-2-4-12(32)5-3-11/h2-7,16-17,19-20,22-24,27-30,32-36,38-40H,8-9H2,1H3
InChIKey CDTNLNYMZSMCGJ-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)C5OC(C(O)C(O)C5O)COC(=O)C
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 2''-(6-Acetylglucosyl)astragalin (CHEBI:192030) is a flavonoids (CHEBI:72544)
2''-(6-Acetylglucosyl)astragalin (CHEBI:192030) is a glycoside (CHEBI:24400)
IUPAC Name
[6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xref Database
HMDB0040474 HMDB
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