DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:36 UTC
Update Date	2025-03-25 00:46:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02157129
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₀O₁₇
Molecular Mass	530.1483
SMILES	O=CC(O)C(O)C(OC1C(O)CC(O)(C(=O)O)CC1OC1OC(C(=O)O)C(O)C(O)C1O)C(O)CO
InChI Key	QLHCMEVEGJWROZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alkyl glycosides alpha hydroxy acids and derivatives alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids cyclohexanols dialkyl ethers dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides fatty alcohols glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes primary alcohols pyran carboxylic acids quinic acids and derivatives tertiary alcohols
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group ether carboxylic acid glucuronic acid or derivatives alpha-hydroxy acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether 1-o-glucuronide beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal fatty alcohol aliphatic heteromonocyclic compound oxane primary alcohol organoheterocyclic compound hydrolyzable tannin alcohol pyran carboxylic acid or derivatives fatty acyl glycoside cyclohexanol aldehyde cyclitol or derivatives hydroxy acid cyclic alcohol oxacycle tertiary alcohol organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organooxygen compound alkyl glycoside quinic acid

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