| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:23 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H7ClO4 |
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| Molecular Mass | 262.0033 |
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| SMILES | O=c1oc2cc(O)ccc2c2c(Cl)c(O)ccc12 |
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| InChI Key | VOLNXECANZEHFZ-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransaryl chloridesbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganochloridesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | aryl chloridebenzopyran1-benzopyranorganochlorideheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarinorganohalogen compoundcoumarinaryl halidelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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