| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154766 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H10O7 |
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| Molecular Mass | 326.0427 |
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| SMILES | COc1cc2c(cc1O)c(=O)oc1c3ccc(O)cc3c(=O)oc21 |
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| InChI Key | PVBXRWFVCCODIL-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 | isocoumarins and derivatives |
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| Subclass | isocoumarins and derivatives |
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| Direct Parent | isocoumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-benzopyransalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etherbenzopyranetherheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisole2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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