| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:07 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235871 |
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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 | COc1cc2ccccc2c2c3c(c(=O)oc12)C(=O)CC3 |
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| InChI Key | LTBYDKNGWWBTSZ-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 | naphthopyrans |
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| Direct Parent | naphthopyrans |
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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 compoundcoumarinoxacyclenaphthopyrannaphthaleneorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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