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3-O-Neohesperidoside Kaempferol (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001029

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001029 contains the MS2 mass spectrum of 3-O-Neohesperidoside Kaempferol (NMR) with the InChIkey OHOBPOYHROOXEI-JWMUNMLDSA-N.

Source: 3-O-Neohesperidoside Kaempferol (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,25+,26-,27-/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
InChI Key	OHOBPOYHROOXEI-JWMUNMLDSA-N
Molecular Formula	C27H30O15
Exact Mass	594.159 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	02bbd460-e0f8-44f9-a7e7-a21de678569b
Package id	msbnk-bs-bs001029
Resource type	HTML
State	active