Dataset

Naringin

This MassBank record with Accession MSBNK-BS-BS003383 contains the MS2 mass spectrum of Naringin with the InChIkey DFPMSGMNTNDNHN-ZPHOTFPESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES C([C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(O1)O[C@]2([H])[C@]([H])([C@@]([H])([C@]([H])(O[C@@]2([H])OC3=C(C(=C4C(=O)C([C@]([H])(OC4=C3[H])C5=C(C(=C(C(=C5[H])[H])O[H])[H])[H])([H])[H])O[H])[H])C(O[H])([H])[H])O[H])O[H])O[H])O[H])O[H])([H])([H])[H]
InChI Key DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molecular Formula C27H32O14
Exact Mass 580.179 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-BS-BS003383
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:04.338617
MetadataModified 2024-01-11T12:34:04.529720
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
28819 ChEBI
C09789 KEGG Ligand
CHEMBL451532 ChEMBL
56310603 PubChem: Drugs of the Future
10363023 eMolecules
1935930 eMolecules
442428 PubChem
60022485 NMRShiftDB
ZWN PDBe
PD017564 ProbesDrugs
DB16859 DrugBank
144202269 PubChem: Thomson Pharma
LSM-2038 LINCS
SCHEMBL23432 SureChEMBL
Naringin(Naringoside) Selleck
14838025 PubChem: Thomson Pharma
N7TD9J649B FDA SRS
J10.482E Nikkaji
MCULE-5348711723 Mcule
TAFBEH CCDC
ZINC000008143604 ZINC
50241582 BindingDB
LMPK12140235 LipidMaps
NARINGIN rxnorm
DTXSID6022478 EPA CompTox Dashboard
HY-N0153 MedChemExpress
4738 Guide to Pharmacology
MCULE-8755204723 Mcule
HMDB0002927 Human Metabolome Database
27226 Brenda
MTBLC28819 Metabolights
2858 Brenda
211874 Brenda
124565 Brenda
The data in this table is sourced from UniChem at EBI.