| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:11 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N2O5S |
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| Molecular Mass | 334.0623 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)OC(Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | MVOHRJDNUBCULS-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleenoate esterazacycleheteroaromatic compoundhydroxycinnamic acidfatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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