| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:27 UTC |
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| Update Date | 2025-03-21 18:02:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037258 |
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| Frequency | 94.6 |
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| Structure | |
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| Chemical Formula | C19H24N2O3 |
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| Molecular Mass | 328.1787 |
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| SMILES | C=CC1(O)CN2CCC1CC2C(O)c1c[nH]c2ccc(OC)cc12 |
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| InChI Key | BXMFADRCOKTISS-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundspiperidinespyrrolesquinuclidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretherindolequinuclidinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary aminealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminetertiary alcoholorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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