Dataset
Coumarin 106
Chemical Info
InChI | InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2 |
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SMILES | C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23 |
InChI Key | LLSRPENMALNOFW-UHFFFAOYSA-N |
Molecular Formula | C18H19NO2 |
Exact Mass | 281.142 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-BML01761 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:40.332991 |
MetadataModified | 2024-01-11T22:28:40.491570 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
100336 | PubChem |
41175-45-5 | ACToR |
SCHEMBL12153732 | SureChEMBL |
HIFMOY | CCDC |
J1.726.594F | Nikkaji |
J294.844C | Nikkaji |
38263 | Brenda |
14897600 | PubChem: Thomson Pharma |
9RGV583D48 | FDA SRS |
MCULE-9800445261 | Mcule |
CB6178790 | ChemicalBook |
DTXSID5068285 | EPA CompTox Dashboard |
ZINC000001081424 | ZINC |
1H,5H-CYCLOPENTA(3,4)(1)BENZOPYRANO(6,7,8-IJ)QUINOLIZIN-12(9H)-ONE, 2,3,6,7,10,11-HEXAHYDRO- | rxnorm |
717972 | eMolecules |
The data in this table is sourced from UniChem at EBI. |