| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:04 UTC |
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| Update Date | 2025-03-25 00:56:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5N3O2 |
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| Molecular Mass | 127.0382 |
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| SMILES | Cc1c(N=O)[nH][nH]c1=O |
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| InChI Key | SWYYUEVUBGBSEB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azolines |
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| Subclass | pyrazolines |
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| Direct Parent | pyrazolones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitroso compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrazolesvinylogous amides |
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| Substituents | vinylogous amideorganic nitroso compoundlactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpyrazolepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
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