| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H24O9 |
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| Molecular Mass | 444.142 |
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| SMILES | COc1cc(C2c3cc4c(cc3C(CCC(=O)O)C2C(=O)O)OCO4)cc(OC)c1OC |
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| InChI Key | JSYJLVZDIUQNCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesindanesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzeneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisoleindanedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundbenzodioxole |
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