| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:12 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H14O6 |
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| Molecular Mass | 326.079 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | GJQYSYZLBXNAEC-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsbenzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidenonebenzoic acid or derivativeshydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compound |
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