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3-Rha-7-Rha Quercetin (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001027

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001027 contains the MS mass spectrum of 3-Rha-7-Rha Quercetin (NMR) with the InChIkey GXLQUHPXGLZNGE-BJBZVNFPSA-N.

Source: 3-Rha-7-Rha Quercetin (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
SMILES	O=C1C2=C(OC(=C1O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C)C4=CC(=C(C=C4)O)O)C=C(C=C2O)O[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C
InChI Key	GXLQUHPXGLZNGE-BJBZVNFPSA-N
Molecular Formula	C27H30O15
Exact Mass	594.159 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	51354e73-ef88-4997-acf7-69fc2f4d0fd9
Package id	msbnk-bs-bs001027
Resource type	HTML
State	active