| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:29 UTC |
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| Update Date | 2025-03-25 00:48:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO6 |
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| Molecular Mass | 351.1682 |
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| SMILES | CC1C(Oc2cc(CC3CCC(=O)O3)c[nH]2)OC(C(=O)O)C(C)C1C |
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| InChI Key | GRBPCNVIHQZYJB-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrrolestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanepyran carboxylic acid or derivativesazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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