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Gardenin A

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003607

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003607 contains the MS2 mass spectrum of Gardenin A with the InChIkey MQBFFYQCZCKSBX-UHFFFAOYSA-N.

Source: Gardenin A

Chemical Info

molecular Image

InChI	InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3
SMILES	C(OC1=C(C(=C(C(=C1OC([H])([H])[H])OC([H])([H])[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])[H])[H])([H])([H])[H]
InChI Key	MQBFFYQCZCKSBX-UHFFFAOYSA-N
Molecular Formula	C21H22O9
Exact Mass	418.126 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	c5a3b680-addb-4b78-a449-09fa4b9b55cc
Package id	msbnk-bs-bs003607
Resource type	HTML
State	active