| 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 | DMID02237068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15NO7 |
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| Molecular Mass | 345.0849 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)cn1)C(=O)O |
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| InChI Key | DTIWVVLWELZTDE-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundenoate esterazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidfatty acid esterpyridineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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