| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:19 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H21NO8 |
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| Molecular Mass | 403.1267 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)NOC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | CUERQDAQRPTCDI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid saltshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compound |
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