Dataset
Naltrexone
Chemical Info
InChI | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 |
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SMILES | Oc(c6)c(O5)c(c(c6)3)C(C1)(C45)C(O)(CCC(=O)4)C(C3)N(CC(C2)C2)C1 |
InChI Key | DQCKKXVULJGBQN-XFWGSAIBSA-N |
Molecular Formula | C20H23NO4 |
Exact Mass | 341.163 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-Waters-WA000762 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:49:41.891036 |
MetadataModified | 2024-01-11T22:49:42.040997 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |