| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:47 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219354 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O7 |
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| Molecular Mass | 358.1053 |
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| SMILES | COc1cc(CCC(=O)CC(=O)c2cccc(O)c2C(=O)O)ccc1O |
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| InChI Key | RCAQPHVEUAIFLA-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | gingerdiones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl-phenylketonesanisolesaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssalicylic acidsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketonegingerdionebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkyl aryl ethercarboxylic acid derivativeketoneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenephenylketonehydroxybenzoic acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolehydrocarbon derivativephenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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