| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:18 UTC |
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| Update Date | 2025-03-25 00:46:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O6 |
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| Molecular Mass | 264.0634 |
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| SMILES | O=c1oc2cc(O)cc(O)c2c2c1CCC(O)C2O |
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| InChI Key | AWHQVZLHAMQORG-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 benzenoidsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcohols |
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| Substituents | alcoholbenzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonesecondary alcoholhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound1,2-diol |
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