| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:22 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206635 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23NO8 |
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| Molecular Mass | 405.1424 |
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| SMILES | O=C(O)C(O)CCCCNCC1(O)c2ccc(O)cc2Oc2cc(O)cc(O)c21 |
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| InChI Key | RMTIDBHVJTULRA-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | xanthenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdiarylethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstertiary alcohols |
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| Substituents | diaryl etherfatty acylcarbonyl groupethercarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminehydroxy acid1-hydroxy-4-unsubstituted benzenoidsecondary amineamino fatty acidxantheneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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