| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:51:14 UTC |
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| Update Date | 2025-03-21 18:02:58 UTC |
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| HMDB ID | HMDB0253618 |
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| Metabolite Identification |
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| DeepMet ID | DMID00041462 |
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| Name | Isochroman |
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| Frequency | 82.8 |
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| Structure | |
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| Chemical Formula | C9H10O |
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| Molecular Mass | 134.0732 |
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| SMILES | c1ccc2c(c1)CCOC2 |
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| InChI Key | HEBMCVBCEDMUOF-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 | benzenoidsdialkyl ethershydrocarbon derivativesoxacyclic compounds |
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| Substituents | etherdialkyl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compound2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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