| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:09 UTC |
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| Update Date | 2025-03-25 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O4 |
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| Molecular Mass | 246.0892 |
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| SMILES | COc1cc2c(C)ccc(C(=O)O)c2cc1OC |
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| InChI Key | DNSWHLBPIJIVRZ-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 | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisoleshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | phenol etherethercarboxylic acidaromatic homopolycyclic compound1-naphthalenecarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compound |
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