Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-11(16-5)9-12(8-10)17-6/h7-9H,1-6H3 |
---|---|
SMILES | COc1cc(cc(c1)OC)B1OC(C(O1)(C)C)(C)C |
InChI Key | CZYHRTIJLUONKY-UHFFFAOYSA-N |
Molecular Formula | C14H21BO4 |
Exact Mass | 264.125 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/CZYHRTIJLUONKY-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CZYHRTIJLUONKY-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T00:51:17.704779 |
MetadataModified | 2024-09-08T00:51:17.704785 |
MetadataPublished | 2023-04-07 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
16217660 | PubChem |
MCULE-7328145795 | Mcule |
49659129 | PubChem: Thomson Pharma |
525458 | eMolecules |
ZINC000169799293 | ZINC |
DTXSID60584477 | EPA CompTox Dashboard |
J1.684.301F | Nikkaji |
SCHEMBL1560148 | SureChEMBL |
CB7680759 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |