| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:36 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H14O6 |
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| Molecular Mass | 362.079 |
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| SMILES | O=c1c(-c2ccc(O)cc2)coc2c(-c3ccc(O)c(O)c3)ccc(O)c12 |
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| InChI Key | PWCHPBLCRFTAAP-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 | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativeschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonesisoflavonoidsorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | isoflavonemonocyclic benzene moietybenzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisoflavonoid skeleton1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranisoflavonoidpyranonephenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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