| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:17 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O7 |
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| Molecular Mass | 278.0427 |
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| SMILES | O=C1c2c(c3c(O)cc(O)cc3oc2=O)CC(O)C1O |
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| InChI Key | XARHTYZFNNECMB-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 | 1,2-diols1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcohols |
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| Substituents | alcoholbenzopyranaryl alkyl ketone1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonesecondary alcoholhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone1,2-diol |
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