| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:45 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17NO3 |
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| Molecular Mass | 295.1208 |
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| SMILES | CC(C(=O)O)c1ccc(Cc2c[nH]c3cc(O)ccc23)cc1 |
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| InChI Key | VHQHBNLIOKVHKE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebicyclic monoterpenoidbenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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