Dataset

Dihydrohesperetin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN-PR306634 contains the MS2 mass spectrum of Dihydrohesperetin-7-O-neohesperidoside with the InChIkey ITVGXXMINPYUHD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3
SMILES COC1=C(O)C=C(CCC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O)C=C1
InChI Key ITVGXXMINPYUHD-UHFFFAOYSA-N
Molecular Formula C28H36O15
Exact Mass 612.581 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-PR306634
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:04.997336
MetadataModified 2024-01-11T20:41:05.143357
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1988118 eMolecules
SCHEMBL20687088 SureChEMBL
HMDB0030542 Human Metabolome Database
PD056215 ProbesDrugs
SCHEMBL12749760 SureChEMBL
MCULE-7126421768 Mcule
4453 PubChem
DOPPON CCDC
CHEMBL174778 ChEMBL
The data in this table is sourced from UniChem at EBI.