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3-Glu-3,4',7-trihydroxyisoflavanone (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001196

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001196 contains the MS2 mass spectrum of 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) with the InChIkey BTODFHHNMFOZHK-FEUJFKKFSA-N.

Source: 3-Glu-3,4',7-trihydroxyisoflavanone (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C21H22O10/c22-8-15-16(25)17(26)18(27)20(30-15)31-21(10-1-3-11(23)4-2-10)9-29-14-7-12(24)5-6-13(14)19(21)28/h1-7,15-18,20,22-27H,8-9H2/t15-,16-,17+,18-,20+,21?/m1/s1
SMILES	C1(=CC=C2C(=C1)OCC(C2=O)(C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI Key	BTODFHHNMFOZHK-FEUJFKKFSA-N
Molecular Formula	C21H22O10
Exact Mass	434.121 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	dde9761e-d9ca-45cf-87e7-113c6eccc530
Package id	msbnk-bs-bs001196
Resource type	HTML
State	active