| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:12 UTC |
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| Update Date | 2025-03-25 00:47:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165193 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30O12 |
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| Molecular Mass | 486.1737 |
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| SMILES | CC1OC(OC2C(OC(=O)C=Cc3ccc(O)c(O)c3)CC(CO)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | OJBAKTXZKYTBSF-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscyclitols and derivativescyclohexanolsenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundenoate esteralcoholcyclohexanolcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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