| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O4 |
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| Molecular Mass | 244.0736 |
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| SMILES | COc1cc2c(c3oc(=O)c(C)cc13)CCC2=O |
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| InChI Key | LZCVCIFPPREWMR-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesindanoneslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyranalkyl aryl etherketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compoundindanonecoumarinoxacycleorganic oxygen compoundpyrananisoleindanehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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