| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:09 UTC |
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| Update Date | 2025-03-21 18:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136687 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | COc1cc(OC)c2c(c1)OC1OC=CC21 |
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| InChI Key | KEFXQTPQVMBKRL-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesdihydrofuranshydrocarbon derivativesoxacyclic compounds |
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| Substituents | phenol etheretheralkyl aryl etheroxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisolehydrocarbon derivativebenzenoidcoumaranorganooxygen compounddihydrofuran |
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