| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:35 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H22O9 |
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| Molecular Mass | 466.1264 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)CC1O |
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| InChI Key | UVGYIGNHSMSERJ-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativesbenzoxepinescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupetherbenzoxepine1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidearomatic heteropolycyclic compoundorganoheterocyclic compoundenoate esteralcohol1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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