| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:21 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO6 |
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| Molecular Mass | 351.1682 |
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| SMILES | CC(O)C(=O)Nc1ccc(OC2OC(C(=O)O)C(C)C(C)C2C)cc1 |
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| InChI Key | NYYVPXLTQWWMQJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsanilidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-arylamidecarboxylic acid derivativeorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanealcoholpyran carboxylic acid or derivativescarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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