| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:57 UTC |
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| Update Date | 2025-03-25 00:57:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17ClN2O4 |
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| Molecular Mass | 372.0877 |
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| SMILES | Oc1cc(O)c2c(c1)OC(Cn1ccnc1)(c1ccc(Cl)cc1)C(O)C2 |
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| InChI Key | BTVUZFWKFDPAAC-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 benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersaryl chloridesazacyclic compoundschlorobenzenesflavan-3-olsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavanorganochloride1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganohalogen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundchromaneflavan-3-olorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzenealcoholbenzopyranazacycleheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidaryl halideoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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