| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:38 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H35N3O9 |
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| Molecular Mass | 569.2373 |
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| SMILES | Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C(O)CC(=O)O)c1CCC(=O)O)C2 |
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| InChI Key | WQHATWADWNJMRV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativeshydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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