| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:00 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H29NO6 |
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| Molecular Mass | 379.1995 |
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| SMILES | COc1cc(CCNC(C)=O)ccc1OC1OC(C(=O)O)C(C)C(C)C1C |
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| InChI Key | KWTAVNJXCDLCKS-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 | acetalsacetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneacetamidepyran carboxylic acid or derivativescarboxamide groupmethoxybenzeneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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