| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:46 UTC |
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| Update Date | 2025-03-25 00:52:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O6 |
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| Molecular Mass | 294.1103 |
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| SMILES | CC1(CCC(=O)O)CCc2cc(O)c(C=O)c(CO)c2O1 |
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| InChI Key | HIIBATBIPJARKT-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaromatic alcoholsaryl-aldehydesbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | aromatic alcoholalcoholcarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidaldehydealkyl aryl ethercarboxylic acid derivativeoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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