| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:58 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H10O6 |
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| Molecular Mass | 298.0477 |
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| SMILES | COc1ccc2c(c1)c(=O)oc1c3c(c(=O)oc12)C(=O)CC3 |
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| InChI Key | AUHYAKDLFISXCV-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 | isocoumarins and derivatives |
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| Subclass | isocoumarins and derivatives |
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| Direct Parent | isocoumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etherbenzopyranetheraryl alkyl ketoneheteroaromatic compoundalkyl aryl etherisocoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisole2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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