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Quercetin...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303677

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR303677 contains the MS2 mass spectrum of Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside with the...

Source: Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside

Chemical Info

molecular Image

InChI	InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+
SMILES	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O
InChI Key	LSMKTLJKBSXMMR-RUDMXATFSA-N
Molecular Formula	C36H36O18
Exact Mass	756.666 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	d08ab438-2ebd-4622-abe3-944aeb598c65
Package id	msbnk-riken-pr303677
Resource type	HTML
State	active