| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:25 UTC |
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| Update Date | 2025-03-25 00:49:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177208 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O7 |
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| Molecular Mass | 298.1053 |
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| SMILES | Cc1ccc(C2OC(C)C(O)C(O)C2O)c(C(=O)O)c1O |
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| InChI Key | JEJLFWIOQABPTL-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 | salicylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesortho cresolsoxacyclic compoundsoxanessecondary alcoholstoluenesvinylogous acids |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidesalicylic acidcarboxylic acid derivativedialkyl ethersaccharideorganic oxideo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativetolueneorganooxygen compound |
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