Dataset
Kaempferol annotated NMR 400 MHz DMSOd6 data.2d
Chemical Info
InChI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
---|---|
SMILES | O=C1C(O)=C(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12 |
InChI Key | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
Molecular Formula | C15H10O6 |
Exact Mass | 286.240 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p33.s216.d1176 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1176 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:40:45.370613 |
MetadataModified | 2024-09-23T09:28:45.759969 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
---|---|
Measurement Technique | 2d |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
408 | Brenda |
HMDB0005801 | Human Metabolome Database |
CB5223176 | ChemicalBook |
731P2LE49E | FDA SRS |
MCULE-8965218413 | Mcule |
MTBLC28499 | Metabolights |
62438 | Brenda |
35794 | Brenda |
7628 | Brenda |
LSM-5304 | LINCS |
520-18-3 | ACToR |
14751111 | PubChem: Thomson Pharma |
5280863 | PubChem |
Kaempferol | Selleck |
PD000231 | ProbesDrugs |
524531 | eMolecules |
SCHEMBL18817 | SureChEMBL |
J1.575J | Nikkaji |
ZINC000003869768 | ZINC |
LMPK12110003 | LipidMaps |
43511 | Brenda |
DTXSID7020768 | EPA CompTox Dashboard |
243651 | Brenda |
HY-14590 | MedChemExpress |
60005037 | NMRShiftDB |
11052 | Guide to Pharmacology |
7462 | BindingDB |
EJEPOA | CCDC |
DB01852 | DrugBank |
56310599 | PubChem: Drugs of the Future |
CHEMBL150 | ChEMBL |
KMP | PDBe |
28499 | ChEBI |
C05903 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |