Dataset

Apigenin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN-PR305867 contains the MS2 mass spectrum of Apigenin-7-O-neohesperidoside with the InChIkey RPMNUQRUHXIGHK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3
SMILES CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI Key RPMNUQRUHXIGHK-UHFFFAOYSA-N
Molecular Formula C27H30O14
Exact Mass 578.523 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-PR305867
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:46.105585
MetadataModified 2024-01-11T20:42:46.264538
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5459217 PubChem
HMDB0038848 Human Metabolome Database
SCHEMBL118912 SureChEMBL
70020063 NMRShiftDB
PD056203 ProbesDrugs
The data in this table is sourced from UniChem at EBI.