| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:24 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225300 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | CC(C)(C)c1c(O)c2ccc(O)cc2oc1=O |
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| InChI Key | JABNLQCBROXUHM-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 | 4-hydroxycoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxycoumarinsbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | 4-hydroxycoumarinbenzopyran7-hydroxycoumarin1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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