| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:13 UTC |
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| Update Date | 2025-03-21 18:36:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113271 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C15H10O7 |
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| Molecular Mass | 302.0427 |
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| SMILES | O=c1oc(-c2cc(O)c(O)c(O)c2)cc2cc(O)cc(O)c12 |
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| InChI Key | DMGOJOCVMIVPPY-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 benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativespyrogallols and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietybenzopyranpyrogallol derivativebenzenetriolheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidisocoumarinlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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