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Epigallocatechin gallate

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003901

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003901 contains the MS2 mass spectrum of Epigallocatechin gallate with the InChIkey WMBWREPUVVBILR-WIYYLYMNSA-N.

Source: Epigallocatechin gallate

Chemical Info

molecular Image

InChI	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
SMILES	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI Key	WMBWREPUVVBILR-WIYYLYMNSA-N
Molecular Formula	C22H18O11
Exact Mass	458.085 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	0f6f16ed-8e94-45ad-a895-25be1b2a2fd5
Package id	msbnk-bs-bs003901
Resource type	HTML
State	active