| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:39 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O3 |
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| Molecular Mass | 214.063 |
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| SMILES | O=C1CCCc2oc(=O)c3ccccc3c21 |
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| InChI Key | MLQXXHGYZQLWJE-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-benzopyransaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranaryl alkyl ketoneheteroaromatic compoundisocoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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