| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:42 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219157 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H12O4 |
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| Molecular Mass | 280.0736 |
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| SMILES | COc1ccc2cc3oc(=O)c4c(c3cc2c1)CCC4=O |
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| InChI Key | QLSQQBVCTCWZOV-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 | naphthopyrans |
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| Subclass | naphthopyranones |
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| Direct Parent | naphthopyranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesnaphthalenesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyranalkyl aryl etherketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranonebenzopyranheteroaromatic compoundcoumarinnaphthopyranoneoxacyclenaphthaleneorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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