| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:02 UTC |
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| Update Date | 2025-03-21 18:38:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122451 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C31H32N2O5 |
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| Molecular Mass | 512.2311 |
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| SMILES | CC(C)c1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c(-c2ccccc2)n1CCC(O)CC(=O)O |
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| InChI Key | PUZFGTHSCLPWKK-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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