| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:39 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H37NO8 |
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| Molecular Mass | 431.2519 |
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| SMILES | COc1cc(CCN)ccc1OCCOCCOCCOCCOCCOCCO |
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| InChI Key | LERRGUAEUMOMPG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl aryl ethersdialkyl ethershydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | alcoholmonocyclic benzene moietyetheralkyl aryl ethermethoxybenzenedialkyl etheraromatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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