| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O6 |
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| Molecular Mass | 334.1416 |
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| SMILES | Cc1c(CCC(=O)O)c2c(c(CCC(=O)O)c1CC(=O)O)CCC2 |
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| InChI Key | SPLSLMDVIYWVJB-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 | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundindanearomatic homopolycyclic compoundhydrocarbon derivativetricarboxylic acid or derivativescarboxylic acid derivativeorganooxygen compound |
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