| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:05 UTC |
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| Update Date | 2025-03-21 18:30:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081590 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C18H24O10 |
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| Molecular Mass | 400.1369 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OC1OC(C(=O)O)C(O)C(O)C(O)C1O |
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| InChI Key | CKKHLDWBPSLWGC-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundhydroxy acidcarboxylic acid derivativeoxepaneoxacyclefatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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