| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:14 UTC |
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| Update Date | 2025-03-25 00:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H25NO4 |
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| Molecular Mass | 307.1784 |
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| SMILES | COc1ccc(C(O)C2CCN(CCCC(=O)O)CC2)cc1 |
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| InChI Key | VHFXXWDGBWXSHP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsamino fatty acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholfatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amineamino fatty acidmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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