| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:24 UTC |
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| Update Date | 2025-03-25 00:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231900 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O5 |
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| Molecular Mass | 260.0685 |
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| SMILES | CC1(C)c2c(c(=O)oc3cc(O)ccc23)C(=O)C1O |
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| InChI Key | LLFMWAAOUFDAMU-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 | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcohols |
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| Substituents | alcoholbenzopyranaryl alkyl ketone1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonesecondary alcoholhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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