| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:15 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4 |
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| Molecular Mass | 299.1158 |
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| SMILES | CN1CCc2cc(O)c(O)c3c2C1Cc1ccc(O)cc1O3 |
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| InChI Key | ISNDVGCUXFEZKH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | cularin alkaloids and derivatives |
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| Subclass | cularin alkaloids and derivatives |
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| Direct Parent | cularin alkaloids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzenoidsdiarylethersdibenzoxepineshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | diaryl etheretherazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidaralkylamineoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundcularin or derivativesorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddibenzoxepineaminetertiary amineorganoheterocyclic compoundorganooxygen compound |
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