| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:39 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237077 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H17NO4 |
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| Molecular Mass | 347.1158 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)CC(=O)C=Cc1c[nH]c2ccccc12 |
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| InChI Key | XQEZCNKHTMSTGK-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsazacyclic compoundsbenzene and substituted derivativesenonesheteroaromatic compoundshydrocarbon derivativesindolesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietycarbonyl groupindole1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundenoneazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidorganic oxygen compoundpyrrolephenolhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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