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Scutellarein-7-glucuronide

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003567

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003567 contains the MS2 mass spectrum of Scutellarein-7-glucuronide with the InChIkey DJSISFGPUUYILV-ZFORQUDYSA-N.

Source: Scutellarein-7-glucuronide

Chemical Info

molecular Image

InChI	InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES	C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
InChI Key	DJSISFGPUUYILV-ZFORQUDYSA-N
Molecular Formula	C21H18O12
Exact Mass	462.080 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	d02c9e9c-5302-436f-9e24-018a6858029d
Package id	msbnk-bs-bs003567
Resource type	HTML
State	active