| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:50 UTC |
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| Update Date | 2025-03-21 18:06:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064140 |
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| Frequency | 48.0 |
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| Structure | |
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| Chemical Formula | C9H6O3 |
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| Molecular Mass | 162.0317 |
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| SMILES | O=c1oc(O)cc2ccccc12 |
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| InChI Key | DEUHBIPDRFCBER-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-benzopyransbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranheteroaromatic compoundisocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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