| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:21 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17NO4 |
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| Molecular Mass | 323.1158 |
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| SMILES | CC(C(=O)O)c1ccc(Cc2c[nH]c3ccc(C(=O)O)cc23)cc1 |
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| InChI Key | DACATZCZQOGMAJ-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrroles |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupcarboxylic acidindolep-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundorganic oxygen compoundindolecarboxylic acidpyrroledicarboxylic acid or derivativeshydrocarbon derivativebicyclic monoterpenoidbenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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