| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:04 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183196 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O7 |
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| Molecular Mass | 316.0583 |
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| SMILES | O=C(OC1COc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 |
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| InChI Key | BJHDHRGSKLKEJT-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 | chromones |
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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 ethersaryl alkyl ketonesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acidsp-hydroxybenzoic acid alkyl esters |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketonep-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compoundbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteroxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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