Dataset
Cryptopine
Chemical Info
InChI | InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3 |
---|---|
SMILES | CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC |
InChI Key | XPOJSWHIKCNLEQ-UHFFFAOYSA-N |
Molecular Formula | C21H23NO5 |
Exact Mass | 369.158 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81000 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:37.536483 |
MetadataModified | 2024-01-11T22:28:37.692351 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1339015 | ChEMBL |
4784003 | eMolecules |
175571 | Brenda |
ZINC000019632726 | ZINC |
DTXSID40197463 | EPA CompTox Dashboard |
72616 | PubChem |
60032610 | NMRShiftDB |
CB9758663 | ChemicalBook |
14954151 | PubChem: Thomson Pharma |
482-74-6 | ACToR |
SCHEMBL178039 | SureChEMBL |
MW13X5YK4A | FDA SRS |
MCULE-4680595689 | Mcule |
J5.982J | Nikkaji |
CRYPTP | CCDC |
The data in this table is sourced from UniChem at EBI. |