| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:06 UTC |
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| Update Date | 2025-03-25 01:02:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27NO7 |
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| Molecular Mass | 369.1788 |
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| SMILES | CC(C)c1ccc(C2OC(CO)C(O)C(O)C2O)c(CC(N)C(=O)O)c1 |
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| InChI Key | FHRBPCVDCLRRON-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acidscumenesdialkyl ethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylpropanesphenylpropanoic acidsprimary alcoholssecondary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidep-cymenedialkyl etherphenylpropanesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumeneoxaneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesalcoholoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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