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Acacetin-7-O-neohesperidoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302751

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302751 contains the MS2 mass spectrum of Acacetin-7-O-neohesperidoside with the InChIkey MLWDGPFGTFOLRJ-CUVHLRMHSA-N.

Source: Acacetin-7-O-neohesperidoside

Chemical Info

molecular Image

InChI	InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/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]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O
InChI Key	MLWDGPFGTFOLRJ-CUVHLRMHSA-N
Molecular Formula	C28H32O14
Exact Mass	592.179 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	3ae777b9-e8d5-48ce-9912-dc1393e69d74
Package id	msbnk-riken-pr302751
Resource type	HTML
State	active