| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:38:43 UTC |
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| Update Date | 2025-03-21 17:58:09 UTC |
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| HMDB ID | HMDB0034344 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012532 |
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| Name | Scopoletin |
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| Frequency | 361.9 |
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| Structure | |
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| Chemical Formula | C10H8O4 |
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| Molecular Mass | 192.0423 |
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| SMILES | COc1cc2ccc(=O)oc2cc1O |
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| InChI Key | RODXRVNMMDRFIK-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 | hydroxycoumarins |
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| Direct Parent | 7-hydroxycoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretherbenzopyran7-hydroxycoumarin1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisolepyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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