| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:11 UTC |
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| Update Date | 2025-03-21 18:36:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110815 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C17H15NO3 |
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| Molecular Mass | 281.1052 |
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| SMILES | O=C(OCCc1c[nH]c2ccccc12)c1ccccc1O |
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| InChI Key | DZHGUGPBCOYVRC-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzoyl derivativescarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessalicylic acid and derivativesvinylogous acids |
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| Substituents | indolebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterpyrrolephenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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