| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:16 UTC |
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| Update Date | 2025-03-21 18:34:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098706 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C16H18O7 |
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| Molecular Mass | 322.1053 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)OC1CCC(O)(C(=O)O)CC1O |
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| InChI Key | GDPMNEQGCINVAJ-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-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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