Dataset

Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS084712 contains the MS2 mass spectrum of Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside with the InChIkey MLWDGPFGTFOLRJ-UHFFFAOYSA-N.

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
SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O
InChI Key MLWDGPFGTFOLRJ-UHFFFAOYSA-N
Molecular Formula C28H32O14
Exact Mass 592.550 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS084712
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:48.910914
MetadataModified 2024-01-11T21:06:49.084980
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15559329 PubChem
The data in this table is sourced from UniChem at EBI.