Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:50:26 UTC |
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Update Date | 2025-03-25 00:50:13 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02179496 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H10O4 |
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Molecular Mass | 218.0579 |
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SMILES | COc1ccc2cc1OC1OC=CC1C2=O |
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InChI Key | VZBDNDDVAJILLV-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 | phenol ethers |
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Subclass | anisoles |
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Direct Parent | anisoles |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | acetalsalkyl aryl ethersaryl alkyl ketonesdihydrofuranshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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Substituents | etheraryl alkyl ketonealkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisolehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundaryl ketonedihydrofuran |
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