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

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302266

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302266 contains the MS2 mass spectrum of Pelargonidin-3,5-di-beta-D-glucoside with the InChIkey SLCKJKWFULXZBD-ZOTFFYTFSA-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/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=[O+]3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	SLCKJKWFULXZBD-ZOTFFYTFSA-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	90af482e-1f2c-437d-96f7-e68c2ef44476
Package id	msbnk-riken-pr302266
Resource type	HTML
State	active