| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:45 UTC |
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| Update Date | 2025-03-21 18:35:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107307 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C18H19N3O3 |
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| Molecular Mass | 325.1426 |
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| SMILES | COc1cc2c(CCNC(=O)c3ccc(N)cc3)c[nH]c2cc1O |
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| InChI Key | DUWJQBBCHNXFIY-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 | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundsbenzamidesbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrrolessecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheramino acid or derivativesindolebenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundbenzoic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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