| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:17 UTC |
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| Update Date | 2025-03-25 00:46:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158605 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H11O7+ |
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| Molecular Mass | 339.0499 |
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| SMILES | O=c1oc2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c2cc(O)ccc12 |
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| InChI Key | YHNNDKLMURLMID-UHFFFAOYSA-O |
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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 benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | monocyclic benzene moietybenzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidisocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonephenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundorganooxygen compound |
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