| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:59 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31NO5 |
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| Molecular Mass | 365.2202 |
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| SMILES | CC(C)NCC(O)c1ccc(OC2OC(C(=O)O)C(C)C(C)C2C)cc1 |
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| InChI Key | GBLHHTFOUWBLSC-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 | acetalsamino acidsaromatic alcoholscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanealcoholsecondary aliphatic aminepyran carboxylic acid or derivativessecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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