| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:03 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201414 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H12O8 |
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| Molecular Mass | 368.0532 |
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| SMILES | COc1cc2c(cc1O)oc(=O)c1c(=O)c(-c3ccc(O)c(O)c3)coc12 |
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| InChI Key | ZMLJEFHSWVZUJO-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyetherbenzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisolepyranonephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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