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4-Methylumbelliferyl glucuronide

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80431

Dataset description:

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80431 contains the MS mass spectrum of 4-Methylumbelliferyl glucuronide with the InChIkey ARQXEQLMMNGFDU-JHZZJYKESA-N.

Source: 4-Methylumbelliferyl glucuronide

Chemical Info

molecular Image

InChI	InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI Key	ARQXEQLMMNGFDU-JHZZJYKESA-N
Molecular Formula	C16H16O9
Exact Mass	352.079 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-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	166bbb4f-f3a4-408c-be3d-a2fd5f56a223
Package id	msbnk-washington_state_univ-bml80431
Resource type	HTML
State	active