| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:35 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O3 |
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| Molecular Mass | 247.0957 |
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| SMILES | Cn1cncc1CNc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | FJRDVMUZRZUEPR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminesvinylogous acids |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminephenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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