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3-O-Neohesperidoside Quercetin (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001031

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001031 contains the MS2 mass spectrum of 3-O-Neohesperidoside Quercetin (NMR) with the InChIkey FYBMGZSDYDNBFX-GXPPAHCZSA-N.

Source: 3-O-Neohesperidoside Quercetin (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m0/s1
SMILES	C1(=CC(=C2C(=C1)OC(=C(C2=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C)O)O)CO)C5=CC=C(C(=C5)O)O)O)O
InChI Key	FYBMGZSDYDNBFX-GXPPAHCZSA-N
Molecular Formula	C27H30O16
Exact Mass	610.153 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	0215a362-4810-4ff5-af40-765f64c24726
Package id	msbnk-bs-bs001031
Resource type	HTML
State	active