Dataset
7-ACETOXY-4-METHYLCOUMARIN
Chemical Info
InChI | InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3 |
---|---|
SMILES | CC(=O)Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1 |
InChI Key | HXVZGASCDAGAPS-UHFFFAOYSA-N |
Molecular Formula | C12H10O4 |
Exact Mass | 218.058 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001136 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:28.585258 |
MetadataModified | 2024-01-11T15:56:28.738292 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C03837 | KEGG Ligand |
510662 | eMolecules |
33456 | BindingDB |
HMDB0032989 | Human Metabolome Database |
MTBLC17763 | Metabolights |
1640 | Brenda |
196465 | Brenda |
30804 | Brenda |
66897 | Brenda |
45676 | Brenda |
17763 | Rhea |
CB3713093 | ChemicalBook |
CHEMBL12019 | ChEMBL |
DTXSID70181895 | EPA CompTox Dashboard |
ZINC000000057912 | ZINC |
366 | PubChem |
PD000820 | ProbesDrugs |
15172071 | PubChem: Thomson Pharma |
2747-05-9 | ACToR |
17763 | ChEBI |
SCHEMBL335474 | SureChEMBL |
J45.307B | Nikkaji |
MCULE-7064321412 | Mcule |
DIJXIH | CCDC |
The data in this table is sourced from UniChem at EBI. |