| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:47 UTC |
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| Update Date | 2025-03-21 18:06:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066429 |
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| Frequency | 45.9 |
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| Structure | |
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| Chemical Formula | C9H5ClO2 |
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| Molecular Mass | 179.9978 |
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| SMILES | O=c1ccc2cc(Cl)ccc2o1 |
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| InChI Key | AMQSYJCKXPUEDR-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-benzopyransaryl chloridesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganochloridesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | aryl chloridebenzopyran1-benzopyranorganochlorideheteroaromatic compoundorganohalogen compoundcoumarinaryl halidelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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