Dataset
Nadide
Chemical Info
InChI | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11?,13-,14?,15-,16?,20-,21?/m1/s1 |
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SMILES | [O-]P(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)(OP(O)(OCC3C(O)C(O)C(N4C=NC5=C4N=CN=C5N)O3)=O)=O |
InChI Key | BAWFJGJZGIEFAR-HIBWLZFTSA-N |
Molecular Formula | C21H27N7O14P2 |
Exact Mass | 663.109 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-CSL23111016011 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T11:30:42.782941 |
MetadataModified | 2024-01-11T11:30:42.954658 |
MetadataPublished | 2023-11-10 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |