Dataset
Matairesinol
Chemical Info
InChI | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 |
---|---|
SMILES | COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O |
InChI Key | MATGKVZWFZHCLI-LSDHHAIUSA-N |
Molecular Formula | C20H22O6 |
Exact Mass | 358.142 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82432 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:27.294427 |
MetadataModified | 2024-01-11T22:27:27.470862 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000001595957 | ZINC |
MCULE-2004788067 | Mcule |
50240921 | BindingDB |
MTBLC6698 | Metabolights |
CB6207276 | ChemicalBook |
XLW63P8WUA | FDA SRS |
HMDB0035698 | Human Metabolome Database |
6698 | Rhea |
86939 | Brenda |
119205 | PubChem |
60022945 | NMRShiftDB |
PD006886 | ProbesDrugs |
16403545 | PubChem: Thomson Pharma |
580-72-3 | ACToR |
SCHEMBL120499 | SureChEMBL |
17163848 | PubChem: Thomson Pharma |
J14.221B | Nikkaji |
6698 | ChEBI |
DB04200 | DrugBank |
CHEMBL425148 | ChEMBL |
C10682 | KEGG Ligand |
MAX | PDBe |
504687 | eMolecules |
The data in this table is sourced from UniChem at EBI. |