CHEBI:169793 - 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->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 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside]
ChEBI ID CHEBI:169793
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H34O18
Net Charge 0
Average Mass 682.584
Monoisotopic Mass 682.17451
InChI InChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3
InChIKey LORXOTCKKVEWGS-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C(O)C=3OC(=CC(=O)C3C(O)=C2)C4=CC(O)=C(OC)C=C4)CO)C5OC(C(O)C(O)C5O)COC(=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] (CHEBI:169793) is a flavonoids (CHEBI:72544)
8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] (CHEBI:169793) is a glycoside (CHEBI:24400)
IUPAC Name
[6-[2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xref Database
HMDB0041232 HMDB
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