| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:44 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O8 |
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| Molecular Mass | 340.1158 |
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| SMILES | COc1cc(C=CC=O)ccc1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | PJFKUPRDDXTASO-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 | cinnamaldehydes |
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| Subclass | cinnamaldehydes |
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| Direct Parent | cinnamaldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaldehydesalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycinnamaldehydecarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethersaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholaldehydemethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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