| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:58:01 UTC |
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| Update Date | 2025-03-21 18:05:32 UTC |
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| HMDB ID | HMDB0030213 |
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| Metabolite Identification |
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| DeepMet ID | DMID00057470 |
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| Name | (S)-Laudanosine |
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| Frequency | 55.2 |
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| Structure | |
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| Chemical Formula | C21H27NO4 |
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| Molecular Mass | 357.194 |
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| SMILES | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC |
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| InChI Key | KGPAYJZAMGEDIQ-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 | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaralkylaminesazacyclic compoundsdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl etheraralkylaminedimethoxybenzenearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminemethoxybenzenebenzylisoquinolineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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