| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:47 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235127 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O4 |
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| Molecular Mass | 239.0906 |
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| SMILES | O=c1[nH][nH]c2c1ccn2C1CC(O)C(CO)O1 |
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| InChI Key | ILKJAOVGBYBXAW-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 | pyrrolopyrazoles |
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| Subclass | pyrrolopyrazoles |
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| Direct Parent | pyrrolopyrazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrazolespyrazolonessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | lactammonosaccharidesubstituted pyrrolepyrazolesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpyrrolopyrazoleoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundpyrazolinone |
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