| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:14 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169827 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21NO9 |
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| Molecular Mass | 431.1216 |
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| SMILES | CCNC(=O)C1OC(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)C(O)C(O)C1O |
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| InChI Key | PMUVCRLMAFPSOO-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-benzopyransacetalscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl group1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundcarboxamide groupisocoumarincoumarinoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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