| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:42 UTC |
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| Update Date | 2025-03-25 00:56:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C45H56N2O14 |
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| Molecular Mass | 848.3732 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c(CCC(=O)O)c(C)c(Cc3oc(CCC(=O)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | LLOSVTAACFOKSW-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 | hexacarboxylic acids and derivatives |
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| Direct Parent | hexacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsfuranoid fatty acidsfuransheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acidspyrrolespyrrolinessecondary carboxylic acid amidestoluenes |
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| Substituents | fatty acylfuranmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideorganonitrogen compoundorganopnictogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundfuranoid fatty acidazacycleheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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