| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:55 UTC |
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| Update Date | 2025-03-21 18:35:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107722 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C15H20O7 |
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| Molecular Mass | 312.1209 |
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| SMILES | CC1OC(OC(Cc2ccccc2)C(=O)O)C(O)C(O)C1O |
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| InChI Key | MPKUCGOMPFFBRT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidecarboxylic acid derivativeoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativebenzenoidoxaneorganoheterocyclic compoundorganooxygen compound |
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