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Quercetin-3,4'-O-di-beta-glucoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303040

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR303040 contains the MS2 mass spectrum of Quercetin-3,4'-O-di-beta-glucoside with the InChIkey RPVIQWDFJPYNJM-DEFKTLOSSA-N.

Source: Quercetin-3,4'-O-di-beta-glucoside

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	RPVIQWDFJPYNJM-DEFKTLOSSA-N
Molecular Formula	C27H30O17
Exact Mass	626.520 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	9b5a5ca5-1eae-498e-b934-4d06a89f8fba
Package id	msbnk-riken-pr303040
Resource type	HTML
State	active