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kaempferol-7-O-neohesperidoside,...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT208510

Dataset description:

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT208510 contains the MS2 mass spectrum of kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man,...

Source: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChI Key	ZEJXENDZTYVXDP-UHFFFAOYSA-N
Molecular Formula	C27H30O15
Exact Mass	594.522 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 4.0 International (CC BY-NC 4.0)
Id	d7921edf-3db1-4cd3-bcfe-7b16900c1f64
Package id	msbnk-riken_respect-pt208510
Resource type	HTML
State	active