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3-O-Neohesperidoside-7-Rha Kaempferol (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001037

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001037 contains the MS2 mass spectrum of 3-O-Neohesperidoside-7-Rha Kaempferol (NMR) with the InChIkey DDELFAUOHDSZJL-NISQZGKJSA-N.

Source: 3-O-Neohesperidoside-7-Rha Kaempferol (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19+,20-,21+,23-,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1
SMILES	C1(=CC(=C2C(=C1)OC(=C(C2=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C)O)O)CO)C5=CC=C(C=C5)O)O)O[C@@H]6O[C@H]([C@H]([C@@H]([C@H]6O)O)O)C
InChI Key	DDELFAUOHDSZJL-NISQZGKJSA-N
Molecular Formula	C33H40O19
Exact Mass	740.216 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	37d301e9-5b1d-4f94-b0af-2b0103a0dfc6
Package id	msbnk-bs-bs001037
Resource type	HTML
State	active