| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:37 UTC |
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| Update Date | 2025-03-21 18:34:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102053 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C20H22O9 |
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| Molecular Mass | 406.1264 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1Oc2cc(O)cc(O)c2CC1O |
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| InChI Key | MQTQMYOGJOOXIH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideacetalaromatic heteropolycyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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