| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:26 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N3O8 |
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| Molecular Mass | 379.1016 |
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| SMILES | O=C(O)c1cc(NCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)ccc1O |
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| InChI Key | FBAZLCGPXOJZNU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | 5'-deoxyribonucleosides |
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| Subclass | 5'-deoxyribonucleosides |
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| Direct Parent | 5'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminespyrimidonessalicylic acidssecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous acidsvinylogous amides |
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| Substituents | monocyclic benzene moietylactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyrimidonesalicylic acidcarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compound1,2-diolalcoholvinylogous amide5'-deoxyribonucleosidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminehydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessecondary alcoholphenylalkylaminephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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