| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:32 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197863 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O3S2 |
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| Molecular Mass | 302.0759 |
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| SMILES | CSCCN=C(N)CCSCc1ccc(C(=O)O)o1 |
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| InChI Key | WAXCRXSAXNLSIR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amidinescarboximidamidescarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamidineorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamidefuroic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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