| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:48 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H31NO4 |
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| Molecular Mass | 373.2253 |
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| SMILES | CC(C)c1ccc(CCC(=O)O)n1CCC(O)CC(O)Cc1ccccc1 |
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| InChI Key | HBNZSTJFYBLJQB-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 | pyrroles |
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| Subclass | substituted pyrroles |
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| Direct Parent | substituted pyrroles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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