| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:46 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16N2O2 |
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| Molecular Mass | 280.1212 |
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| SMILES | O=C(O)c1ccccc1NCCc1c[nH]c2ccccc12 |
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| InChI Key | UUUXTHAIKPERAE-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-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespyrrolessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidindolebenzoylcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amideazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolephenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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