| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:36 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO8 |
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| Molecular Mass | 347.0641 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2[nH]ccc23)C(O)C1O |
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| InChI Key | YYLLGAYGHIKLET-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 | 1,2-diols1-benzopyransacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol etherspyranones and derivativespyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyranmonosaccharidecarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholbenzopyranazacycletetrahydrofuranheteroaromatic compoundhydroxy acidcoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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