| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O5 |
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| Molecular Mass | 300.0998 |
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| SMILES | CC1c2ccc(O)cc2OC(c2ccc(C(=O)O)cc2)C1O |
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| InChI Key | QRAACMDBGJPSGT-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 | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 3-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxyflavonoidsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarboxylic acidsflavan-3-olshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidethercarboxylic acid1-benzopyranflavanbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanebenzoic acidflavan-3-olorganoheterocyclic compoundalcoholbenzopyranbenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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