| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:22 UTC |
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| Update Date | 2025-03-21 18:38:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118551 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C21H24N4O10 |
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| Molecular Mass | 492.1492 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | OKAOAZWULVWTEK-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-diolsalpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeslactamsmonosaccharidesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminespyrimidonessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylmonosaccharidepyrimidonealpha-amino acid or derivativescarboxylic acid derivativebenzamidepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-dioln-acyl-alpha amino acid or derivativesalcoholvinylogous amide5'-deoxyribonucleosidecarbonic acid derivativeazacyclen-acyl-alpha-amino acidtetrahydrofuranhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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