| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:13 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254369 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC(C)(O)C1Cc2cc(O)cc(O)c2C(=O)O1 |
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| InChI Key | SMIHRVBASDPJJM-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 | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcoholsvinylogous acids |
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| Substituents | alcohol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacyclevinylogous acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid ester2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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