Dataset

Luteolin-7,3'-di-O-glucoside

This MassBank record with Accession MSBNK-BS-BS003234 contains the MS2 mass spectrum of Luteolin-7,3'-di-O-glucoside with the InChIkey BISZYPSIZGKOFA-IPOZFMEPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI Key BISZYPSIZGKOFA-IPOZFMEPSA-N
Molecular Formula C27H30O16
Exact Mass 610.153 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-BS003234
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:08.026177
MetadataModified 2024-01-11T12:35:08.174655
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J279.475F Nikkaji
DTXSID90200214 EPA CompTox Dashboard
167535 ChEBI
CHEMBL1744031 ChEMBL
5490298 PubChem
70128360 NMRShiftDB
LMPK12110665 LipidMaps
ZINC000072129823 ZINC
123834 Brenda
138082 Brenda
The data in this table is sourced from UniChem at EBI.