| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:23 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202114 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H35FN2O7 |
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| Molecular Mass | 602.2428 |
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| SMILES | COc1ccccc1N=C(O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CCC(O)(CC(=O)O)CC(=O)O)c1C(C)C |
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| InChI Key | VSOFKIWDWGGFIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl fluoridesazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssubstituted pyrrolestertiary alcohols |
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| Substituents | aryl fluoridecarboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganofluorideheteroaromatic compoundorganic 1,3-dipolar compoundmethoxybenzenearyl halidetertiary alcoholorganic oxygen compoundanisolepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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