| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181046 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | O=C(O)CC(O)(C(=O)O)C(=O)OCc1ccccc1 |
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| InChI Key | KSPWRCVNCPWAPA-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | benzyloxycarbonylalcoholfatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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