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Pelargonidin-3,5-di-beta-D-glucoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310528

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR310528 contains the MS2 mass spectrum of Pelargonidin-3,5-di-beta-D-glucoside with the InChIkey SLCKJKWFULXZBD-UHFFFAOYSA-O.

Source: Pelargonidin-3,5-di-beta-D-glucoside

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1
SMILES	OCC1OC(OC2=CC(O)=CC3=C2C=C(OC2OC(CO)C(O)C(O)C2O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI Key	SLCKJKWFULXZBD-UHFFFAOYSA-O
Molecular Formula	[C27H31O15]+
Exact Mass	595.530 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	877aadf2-a69a-4906-b25b-a6ccfbbf454c
Package id	msbnk-riken-pr310528
Resource type	HTML
State	active