Dataset
Rauwolscine
Chemical Info
InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1 |
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SMILES | COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
InChI Key | BLGXFZZNTVWLAY-DIRVCLHFSA-N |
Molecular Formula | C21H26N2O3 |
Exact Mass | 354.194 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-BML82041 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:16.571620 |
MetadataModified | 2024-01-11T22:28:16.772435 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
48562 | ChEBI |
CHEMBL10347 | ChEMBL |
1933638 | eMolecules |
T4LJ7LU45W | FDA SRS |
SCHEMBL244514 | SureChEMBL |
J5.556E | Nikkaji |
643606 | PubChem |
60026259 | NMRShiftDB |
14778712 | PubChem: Thomson Pharma |
LSM-15381 | LINCS |
131-03-3 | ACToR |
PD050456 | ProbesDrugs |
50026636 | BindingDB |
136 | Guide to Pharmacology |
ZINC000003977785 | ZINC |
DTXSID2045608 | EPA CompTox Dashboard |
223 | Guide to Pharmacology |
MTBLC48562 | Metabolights |
CB4874933 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |