| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250198 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O2 |
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| Molecular Mass | 206.1055 |
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| SMILES | O=C(O)c1ccccc1N1CCNCC1 |
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| InChI Key | ZYLZQIMSYNAILC-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativesdialkylaminesdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylpiperazinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary aminevinylogous amidesecondary aliphatic amineazacycleaniline or substituted anilinesbenzoic acid or derivativessecondary aminephenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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