| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153311 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H19NO3 |
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| Molecular Mass | 297.1365 |
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| SMILES | COc1ccc2c(c1)-c1cc(O)c(O)c3c1C(C2)N(C)CC3 |
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| InChI Key | XCXMHFJZERKTBJ-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 | aporphines |
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| Subclass | aporphines |
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| Direct Parent | aporphines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundsbenzoquinolineshydrocarbon derivativesnaphthols and derivativesorganopnictogen compoundsphenanthrenes and derivativestetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinequinolineorganopnictogen compound2-naphtholtertiary amineorganoheterocyclic compoundphenanthreneazacycletertiary aliphatic aminebenzoquinolinenaphthaleneorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineaporphineorganooxygen compound |
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