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

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001039

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001039 contains the MS mass spectrum of 3-O-Neohesperidoside-7-Rha Quercetin (NMR) with the InChIkey WLPJMCCYDZFCBL-JABRZMJWSA-N.

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

Chemical Info

molecular Image

InChI	InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(47-9)49-12-6-15(37)18-16(7-12)50-28(11-3-4-13(35)14(36)5-11)29(22(18)41)52-33-30(25(44)21(40)17(8-34)51-33)53-32-27(46)24(43)20(39)10(2)48-32/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,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)O[C@@H]6O[C@H]([C@H]([C@@H]([C@H]6O)O)O)C
InChI Key	WLPJMCCYDZFCBL-JABRZMJWSA-N
Molecular Formula	C33H40O20
Exact Mass	756.211 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	ea82bdbc-82d5-468d-97e6-0a8a5c331a8d
Package id	msbnk-bs-bs001039
Resource type	HTML
State	active