| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:45 UTC |
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| Update Date | 2025-03-21 18:40:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131246 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C15H11ClO4 |
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| Molecular Mass | 290.0346 |
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| SMILES | O=C1c2cc(Cl)c(O)cc2OCC1c1ccc(O)cc1 |
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| InChI Key | NGLMDOFAKUNFRI-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 | isoflavonoids |
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| Subclass | isoflavans |
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| Direct Parent | isoflavanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesaryl chloridesbenzene and substituted derivativeschromoneshydrocarbon derivativesisoflavanonesorganic oxidesorganochloridesoxacyclic compounds |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketone1-benzopyranorganochlorideisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganohalogen compoundisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundaryl chloridebenzopyranaryl halideoxacycleorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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