| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:58 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180710 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO5 |
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| Molecular Mass | 317.1263 |
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| SMILES | COc1cc(CNc2ccccc2C(=O)O)cc(OC)c1OC |
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| InChI Key | YXWVMWMQMTZAAL-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersamino acidsanisolesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | phenol etherethercarboxylic acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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