| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:49 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17NO5 |
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| Molecular Mass | 339.1107 |
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| SMILES | COc1ccc(Nc2c(C(=O)O)ccc3cc(OC)c(O)cc23)cc1 |
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| InChI Key | KPXBXIIINAPUFU-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 | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acidsanisoleshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnaphthols and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary aminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-naphtholvinylogous amidearomatic homopolycyclic compoundsecondary aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compound2-naphthalenecarboxylic acidphenoxy compoundorganooxygen compoundamine |
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