| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:16 UTC |
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| Update Date | 2025-03-21 18:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031974 |
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| Frequency | 114.7 |
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| Structure | |
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| Chemical Formula | C13H10O4 |
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| Molecular Mass | 230.0579 |
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| SMILES | COc1ccc2c3c(c(=O)oc2c1)C(=O)CC3 |
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| InChI Key | DSJCDCNFEVYPLU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretherbenzopyranaryl alkyl ketone1-benzopyranheteroaromatic compoundalkyl aryl ethercoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisolepyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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