Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:46:28 UTC |
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Update Date | 2025-03-25 00:48:49 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02170350 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C28H48O5 |
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Molecular Mass | 464.3502 |
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SMILES | CCCCCCCCCCCCCCCCCCCCCc1cc(O)c(O)c(O)c1C(=O)O |
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InChI Key | OSPDIQDZSQPORP-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 homomonocyclic compounds |
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Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundspyrogallols and derivativesvinylogous acids |
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Substituents | carboxylic acidpyrogallol derivativebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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