| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:57 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H40N2O7 |
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| Molecular Mass | 552.2836 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3cc(CCC(=O)O)c(C)c(CCC(=O)O)c3C)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | BRALCEAGQMYXBC-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivativesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidtricarboxylic acid or derivativescarboxylic acid derivativexyleneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundm-xylenecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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