DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:47 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237360
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₆O₉
Molecular Mass	340.0794
SMILES	O=C(Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1=O
InChI Key	VCRXGGXHDXEYQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	1-hydroxy-2-unsubstituted benzenoids
Direct Parent	1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids alpha hydroxy acids and derivatives alpha-acyloxy ketones benzene and substituted derivatives carboxylic acid esters carboxylic acids cyclic ketones cyclitols and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides secondary alcohols tertiary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid alpha-acyloxy ketone alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid cyclic ketone carboxylic acid derivative ketone organic oxide alcohol cyclitol or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol aromatic homomonocyclic compound tertiary alcohol organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organooxygen compound

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