| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:50 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175830 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO2 |
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| Molecular Mass | 255.1259 |
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| SMILES | CCC1=C(C)C(Cc2c[nH]c3ccccc23)OC1=O |
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| InChI Key | HNUCFTWYJPZXPI-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 | azacyclic compoundsbenzenoidsbutenolidescarbonyl compoundsdihydrofuransenoate estersheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
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| Substituents | carbonyl groupindolecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydrofuranenoate esterazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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