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Cyanidin-3-O-rutinoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302337

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302337 contains the MS2 mass spectrum of Cyanidin-3-O-rutinoside with the InChIkey USNPULRDBDVJAO-FXCAAIILSA-O.

Source: Cyanidin-3-O-rutinoside

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI Key	USNPULRDBDVJAO-FXCAAIILSA-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	2441aacf-f443-4ca9-9098-a9927d297ba5
Package id	msbnk-riken-pr302337
Resource type	HTML
State	active