| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:57 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180692 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25NO6 |
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| Molecular Mass | 375.1682 |
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| SMILES | Cc1c(CCC(=O)O)c(C)c2c(C)c(CCC(=O)O)[nH]c2c1CCC(=O)O |
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| InChI Key | UXRLGKOYYLBIEO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | 3-methylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | 3-methylindolecarbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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