| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:38 UTC |
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| Update Date | 2025-03-21 18:32:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089861 |
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| Frequency | 31.4 |
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| Structure | |
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| Chemical Formula | C15H9NO3 |
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| Molecular Mass | 251.0582 |
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| SMILES | O=c1oc2cc(O)ccc2c2c1[nH]c1ccccc12 |
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| InChI Key | PQILTUGKKMWZPN-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 benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindoleslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativespyrroles |
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| Substituents | benzopyranazacycle1-benzopyranindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidindole or derivativescoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyrroleorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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