Dataset

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

Chemical Info

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
SMILES	CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key	IGLUNMMNDNWZOA-UHFFFAOYSA-N
Molecular Formula	C23H22O13
Exact Mass	506.416 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305682
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:40.238180
MetadataModified	2024-01-11T20:42:40.396387
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15596585	PubChem
HMDB0037366	Human Metabolome Database
80001485	NMRShiftDB
The data in this table is sourced from UniChem at EBI.