| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:30 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O7 |
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| Molecular Mass | 280.0583 |
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| SMILES | O=C1OC(C(Cc2ccc(O)c(O)c2)C(=O)O)C=C1O |
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| InChI Key | OMHAQUSQABDEJD-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbutenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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