| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:37 UTC |
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| Update Date | 2025-03-21 18:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032813 |
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| Frequency | 111.1 |
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| Structure | |
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| Chemical Formula | C39H51N3O8 |
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| Molecular Mass | 689.3676 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c(CCC(=O)O)c(C)c(CC3NC(=O)C(C)=C3CC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | KBTHXNBQXDYPCD-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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