Dataset

Diosmetin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN-PR302678 contains the MS2 mass spectrum of Diosmetin-7-O-neohesperidoside with the InChIkey VCCNKWWXYVWTLT-LOYITBPBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26?,27-,28?/m0/s1
SMILES COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3O[C@H](CO)[C@@H](O)[C@H](O)C3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1
InChI Key VCCNKWWXYVWTLT-LOYITBPBSA-N
Molecular Formula C28H32O15
Exact Mass 608.549 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302678
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:59:34.321302
MetadataModified 2025-02-09T18:31:10.385790
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24721278 PubChem
CB9482269 ChemicalBook
The data in this table is sourced from UniChem at EBI.