| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:49 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O4S |
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| Molecular Mass | 250.03 |
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| SMILES | O=C(O)CCSc1cccc2ccc(=O)oc12 |
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| InChI Key | CJHXAOKMJLITDN-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkylarylthioetherscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carbonyl groupcarboxylic acid1-benzopyranalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherlactoneorganic oxidethiophenolaromatic heteropolycyclic compoundthiophenol etherpyranoneorganoheterocyclic compoundbenzopyransulfenyl compoundheteroaromatic compoundcoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyranhydrocarbon derivativebenzenoidorganooxygen compound |
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