Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:04 UTC |
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Update Date | 2025-03-21 18:35:25 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105569 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C22H35NO6 |
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Molecular Mass | 409.2464 |
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SMILES | CC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)NCC(=O)O |
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InChI Key | XVPBWOJXNNHIPQ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | lipids and lipid-like molecules |
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Class | steroids and steroid derivatives |
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Subclass | androstane steroids |
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Direct Parent | androgens and derivatives |
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Geometric Descriptor | aliphatic homopolycyclic compounds |
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Alternative Parents | 11-hydroxysteroids17-hydroxysteroids3-hydroxysteroidsacyl glycinesalkaloids and derivativesalpha amino acidsazasteroids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspregnane-type alkaloidssecondary alcoholssecondary carboxylic acid amidestertiary alcohols |
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Substituents | carbonyl groupcarboxylic acidandrogen-skeletonalpha-amino acid or derivativescarboxylic acid derivativepregnane-type alkaloidaliphatic homopolycyclic compoundorganic oxideazasteroidorganonitrogen compoundalpha-amino acidorganopnictogen compound17-hydroxysteroidn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acid3-hydroxysteroidhydroxysteroidcyclic alcoholcarboxamide groupsteroidal alkaloidn-acylglycinesecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesalkaloid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative11-hydroxysteroidorganic nitrogen compoundorganooxygen compound |
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