| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:11 UTC |
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| Update Date | 2025-03-21 18:32:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091218 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C14H15NO7 |
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| Molecular Mass | 309.0849 |
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| SMILES | O=C(O)C1CC(O)C(O)C(Oc2cc3[nH]ccc3cc2O)O1 |
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| InChI Key | BCALYQWYYWRUBR-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxane1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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