| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:06 UTC |
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| Update Date | 2025-03-21 18:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043583 |
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| Frequency | 78.0 |
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| Structure | |
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| Chemical Formula | C15H9NO2 |
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| Molecular Mass | 235.0633 |
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| SMILES | O=c1oc2ccccc2c2[nH]c3ccccc3c12 |
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| InChI Key | NXDXAVGZPHAKGA-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-benzopyransazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindoleslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativespyrrolesvinylogous amides |
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| Substituents | vinylogous amidebenzopyranazacycle1-benzopyranindoleheteroaromatic compoundindole or derivativescoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyrroleorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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