Dataset

ultraviolet-visible spectrophotometry (UV-VIS)

dataset for ultraviolet-visible spectrophotometry (UV-VIS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1
SMILES OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O
InChI Key DGQLVPJVXFOQEV-JNVSTXMASA-N
Molecular Formula C22H20O13
Exact Mass 492.386 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DGQLVPJVXFOQEV-JNVSTXMASA-N/CHMO0000292.1
License URL
Source https://www.chemotion-repository.net/inchikey/DGQLVPJVXFOQEV-JNVSTXMASA-N/CHMO0000292.1
Version
Author Dieter Sicker
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:56:49.987652
MetadataModified 2024-09-08T00:56:49.987657
MetadataPublished 2023-05-11
Field Value
Measurement Technique ultraviolet-visible spectrophotometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL263094 ChEMBL
10255083 PubChem
PD163979 ProbesDrugs
15258465 PubChem: Thomson Pharma
1343-78-8 ACToR
1390-65-4 ACToR
SCHEMBL1808534 SureChEMBL
26750165 eMolecules
CB1428489 ChemicalBook
CARMINIC ACID rxnorm
MTBLC78310 Metabolights
DTXSID9022817 EPA CompTox Dashboard
ZINC000028095922 ZINC
CID8Z8N95N FDA SRS
J107.996D Nikkaji
MolPort-006-823-907 MolPort
78310 ChEBI
The data in this table is sourced from UniChem at EBI.