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1-O-Sinapoyl-beta-D-glucose,...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS118109

Dataset description:

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS118109 contains the MS2 mass spectrum of 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl...

Source: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside

Chemical Info

molecular Image

InChI	InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3
SMILES	COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O
InChI Key	XRKBRPFTFKKHEF-UHFFFAOYSA-N
Molecular Formula	C17H22O10
Exact Mass	386.353 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 4.0 International (CC BY-NC 4.0)
Id	ab9d0b96-4e18-4af3-8b8b-84c09e7da255
Package id	msbnk-riken_respect-ps118109
Resource type	HTML
State	active