| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:37 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056483 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C17H13NO4 |
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| Molecular Mass | 295.0845 |
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| SMILES | O=C1CC(c2c[nH]c3ccccc23)Oc2cc(O)cc(O)c21 |
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| InChI Key | HTQQASWRXGLWBV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolesvinylogous acids |
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| Substituents | etheraryl alkyl ketoneindole1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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