| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:48 UTC |
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| Update Date | 2025-03-21 17:58:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012716 |
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| Frequency | 355.8 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | COc1cc(O)c(C(=O)O)c(OC)c1 |
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| InChI Key | LEIJLTBRQHFMDL-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 | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesp-methoxybenzoic acids and derivativesphenoxy compoundssalicylic acidsvinylogous acids |
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| Substituents | phenol etherethercarboxylic acidmethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesp-methoxybenzoic acid or derivativesm-dimethoxybenzeneanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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