Dataset

Quercetin-3-O-glucosyl-6''-acetate

This MassBank record with Accession MSBNK-RIKEN-PR302073 contains the MS2 mass spectrum of Quercetin-3-O-glucosyl-6''-acetate with the InChIkey IGLUNMMNDNWZOA-LNNZMUSMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key IGLUNMMNDNWZOA-LNNZMUSMSA-N
Molecular Formula C23H22O13
Exact Mass 506.416 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302073
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MetadataCreated 2024-01-11T20:10:34.936894
MetadataModified 2025-02-09T18:33:24.432586
MetadataPublished 2019-03-28
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