| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:10 UTC |
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| Update Date | 2025-03-21 18:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129847 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C15H11O7+ |
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| Molecular Mass | 303.0499 |
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| SMILES | COc1cc(-c2oc(=O)c3c(O)cc(O)cc3[o+]2)ccc1O |
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| InChI Key | GHYATRDXHSEKBG-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesorganic cationsorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetherheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenelactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisolehydrocarbon derivativeorganic cationphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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