| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:08 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162724 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H15NO4 |
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| Molecular Mass | 309.1001 |
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| SMILES | O=C(CCc1c[nH]c2ccccc12)Oc1ccc(C(=O)O)cc1 |
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| InChI Key | NYGWHGZDBPJWDO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrroles |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidindolebenzoylcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesbenzoic acid or derivativesfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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