| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:16 UTC |
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| Update Date | 2025-03-25 01:00:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H30N2O6 |
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| Molecular Mass | 478.2104 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(Cc2ccc(O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | PYRHQRTXHOMEOM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolspyrrolespyrrolinessecondary carboxylic acid amidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideo-cresolorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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