| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:03 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26O14 |
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| Molecular Mass | 502.1323 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O |
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| InChI Key | LLMPKPGSYOYCDW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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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 derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdialkyl ethersdicarboxylic acids and derivativesenoate estersfatty acid estershemiacetalshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidehemiacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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