| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:19 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)C(c2ccc(O)c(O)c2)C(O)(C(=O)O)C1 |
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| InChI Key | FIBBCMXSRUAFOK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | cyclohexylphenols |
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| Direct Parent | cyclohexylphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxidestertiary alcohols |
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| Substituents | fatty acylcyclohexylphenolcarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate esteralcoholcyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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