| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:10 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25NO5 |
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| Molecular Mass | 359.1733 |
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| SMILES | Cc1c(C)c(Cc2[nH]ccc2CCC(=O)O)c(CCC(=O)O)c(C)c1O |
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| InChI Key | BREUUPAVZJAIOY-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 | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmeta cresolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolsphenolspyrroles |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidm-cresolaromatic heteromonocyclic compoundazacycle3-phenylpropanoic-acidheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundpyrroleo-cresolorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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