| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:49 UTC |
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| Update Date | 2025-03-21 18:07:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068904 |
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| Frequency | 43.9 |
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| Structure | |
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| Chemical Formula | C13H13NO9 |
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| Molecular Mass | 327.059 |
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| SMILES | O=C(O)C1OC(Oc2ccc3[nH]c(=O)oc3c2)C(O)C(O)C1O |
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| InChI Key | PZBVGJZAEMORJH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbenzoxazolonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesoxazolesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidoxazoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazolealcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacyclebenzoxazoleheteroaromatic compoundhydroxy acidbenzoxazoloneoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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