| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:31 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 | DMID02154739 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H14O7 |
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| Molecular Mass | 378.074 |
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| SMILES | COc1cc2c(c3occ(-c4ccc(O)cc4)c(=O)c13)C(=O)C1C=COC1O2 |
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| InChI Key | JJTXZGFMXUSIRI-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 | isoflavonoids |
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| Subclass | pyranoisoflavonoids |
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| Direct Parent | pyranoisoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbenzene and substituted derivativeschromonesdihydrofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativesisoflavonesorganic oxidesoxacyclic compoundspyranochromenespyranones and derivativesvinylogous esters |
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| Substituents | furanphenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranonechromaneorganoheterocyclic compounddihydrofuranisoflavonebenzopyranpyranochromenevinylogous esterheteroaromatic compoundpyranoisoflavonoidfuropyranoxacycleorganic oxygen compoundpyrananisolephenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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