| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:44 UTC |
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| Update Date | 2025-03-21 18:37:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114572 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C13H12O3 |
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| Molecular Mass | 216.0786 |
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| SMILES | O=C(CCc1ccc(O)cc1)c1ccco1 |
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| InChI Key | KWBZWHIHZXNNGG-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietyfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidketoneoxacycleorganic oxideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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