| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:54 UTC |
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| Update Date | 2025-03-21 18:36:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112513 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C13H13NO8 |
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| Molecular Mass | 311.0641 |
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| SMILES | O=C(O)C1OOC(Oc2cc3[nH]ccc3cc2O)C(O)C1O |
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| InChI Key | SNWLPCHCLCNTOP-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-diols1,2-dioxanes1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl peroxidesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol etherspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compounddialkyl peroxideorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundortho-dioxaneorganooxygen compound |
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