Dataset
Seneciphylline
Chemical Info
InChI | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1 |
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SMILES | CC=C(C3)C(=O)O[C@H](C1)[C@@]([H])(C(COC(=O)[C@](C)(O)C(=C)3)=2)N(CC2)C1 |
InChI Key | FCEVNJIUIMLVML-QPSVUOIXSA-N |
Molecular Formula | C18H23NO5 |
Exact Mass | 333.158 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00240 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T16:35:36.468043 |
MetadataModified | 2024-01-11T16:35:36.667185 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |