Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:54:32 UTC |
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Update Date | 2025-03-25 00:51:43 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02188843 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C7H13N5O3 |
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Molecular Mass | 215.1018 |
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SMILES | CC(O)C(O)C1CNn2c(n[nH]c2=O)N1 |
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InChI Key | VXTDUCOVCAVMHV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic nitrogen compounds |
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Class | organonitrogen compounds |
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Subclass | amines |
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Direct Parent | secondary alkylarylamines |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1,2,4-triazines1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstriazoles |
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Substituents | alcoholtriazolecarbonic acid derivative1,2,4-triazoleazacycleheteroaromatic compoundsecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholorganopnictogen compoundtriazinehydrocarbon derivative1,2,4-triazineorganoheterocyclic compoundorganooxygen compoundazole1,2-diol |
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