Dataset

Peonidin-3,5-O-di-beta-glucoside

Chemical Info

InChI	InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1
SMILES	COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1
InChI Key	IPVSUYLZIAYTOK-UHFFFAOYSA-O
Molecular Formula	[C28H33O16]+
Exact Mass	625.556 g/mol

Data and Resources

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Metadata Information

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• 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-PR307002
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:35:58.316667
MetadataModified	2025-02-09T18:25:47.285430
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12313913	PubChem
The data in this table is sourced from UniChem at EBI.