| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:52 UTC |
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| Update Date | 2025-03-21 17:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017270 |
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| Frequency | 244.6 |
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| Structure | |
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| Chemical Formula | C12H11NO2 |
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| Molecular Mass | 201.079 |
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| SMILES | COC(=O)C=Cc1c[nH]c2ccccc12 |
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| InChI Key | JKVXFZPEUCTHQO-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 compoundsbenzenoidscarbonyl compoundsenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupindolecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundenoate esterazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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