| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:10 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O5S |
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| Molecular Mass | 320.0718 |
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| SMILES | CC(C(=O)O)c1ccc(CSCc2ccc(C(=O)O)o2)cc1 |
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| InChI Key | UHQMIFZRTXIPJD-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 | aromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfuroic acidsheteroaromatic compoundshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundssulfenyl compounds |
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| Substituents | furanmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymeneorganosulfur compoundcarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganoheterocyclic compoundfuroic acid or derivativessulfenyl compounddialkylthioetherheteroaromatic compoundfuroic acidoxacycleorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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