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isosakuranetin-7-O-neohesperidoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302130

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302130 contains the MS2 mass spectrum of isosakuranetin-7-O-neohesperidoside with the InChIkey NLAWPKPYBMEWIR-SKYQDXIQSA-N.

Source: isosakuranetin-7-O-neohesperidoside

Chemical Info

molecular Image

InChI	InChI=1S/C28H34O14/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/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1
InChI Key	NLAWPKPYBMEWIR-SKYQDXIQSA-N
Molecular Formula	C28H34O14
Exact Mass	594.566 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	cf36ec2c-144f-4344-a8db-bf8186ffb8f4
Package id	msbnk-riken-pr302130
Resource type	HTML
State	active