Dataset
Josamycin
Chemical Info
InChI | InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3 |
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SMILES | CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O |
InChI Key | XJSFLOJWULLJQS-UHFFFAOYSA-N |
Molecular Formula | C42H69NO15 |
Exact Mass | 827.467 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311109376 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T11:30:26.500780 |
MetadataModified | 2024-01-11T11:30:26.686552 |
MetadataPublished | 2023-11-10 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |