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
ZINC000008143604 ZINC
LMPK12140235 LipidMaps
NARINGIN rxnorm
50241582 BindingDB
4738 Guide to Pharmacology
MCULE-8755204723 Mcule
DTXSID6022478 EPA CompTox Dashboard
J10.482E Nikkaji
TAFBEH CCDC
HY-N0153 MedChemExpress
10363023 eMolecules
1935930 eMolecules
MCULE-5348711723 Mcule
442428 PubChem
2858 Brenda
211874 Brenda
124565 Brenda
HMDB0002927 Human Metabolome Database
27226 Brenda
MTBLC28819 Metabolights
60022485 NMRShiftDB
PD017564 ProbesDrugs
ZWN PDBe
DB16859 DrugBank
N7TD9J649B FDA SRS
14838025 PubChem: Thomson Pharma
SCHEMBL23432 SureChEMBL
Naringin(Naringoside) Selleck
144202269 PubChem: Thomson Pharma
LSM-2038 LINCS
The data in this table is sourced from UniChem at EBI.