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Vitexin-2-rhamnoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01786

Dataset description:

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01786 contains the MS2 mass spectrum of Vitexin-2-rhamnoside with the InChIkey LYGPBZVKGHHTIE-HUBYJIGHSA-N.

Source: Vitexin-2-rhamnoside

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
InChI Key	LYGPBZVKGHHTIE-HUBYJIGHSA-N
Molecular Formula	C27H30O14
Exact Mass	578.164 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-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	baeccc4b-5051-4486-9af1-7aeaf8192472
Package id	msbnk-washington_state_univ-bml01786
Resource type	HTML
State	active