| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:52:03 UTC |
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| Update Date | 2025-03-24 18:00:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01039174 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C9H6O |
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| Molecular Mass | 130.0419 |
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| SMILES | O=CC#Cc1ccccc1 |
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| InChI Key | IDASOVSVRKONFS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aldehydeshydrocarbon derivativesorganic oxidesynals |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundynalaldehydehydrocarbon derivativealpha,beta-unsaturated aldehydeorganooxygen compound |
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