| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:52 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O5 |
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| Molecular Mass | 322.1529 |
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| SMILES | CC(C)NCC(O)COc1cccc2c(C(O)C(=O)O)c[nH]c12 |
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| InChI Key | XSXYEQZVPIEDNF-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol etherspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindolealpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxy acidsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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