DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:56 UTC
Update Date	2025-03-25 00:53:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201139
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₉NO₁₁
Molecular Mass	425.0958
SMILES	COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)NC(C(=O)O)C2C(=O)O)ccc1O
InChI Key	DRDLAIOHLNMNRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkanolamines alkyl aryl ethers alpha amino acids alpha hydroxy acids and derivatives amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids dialkylamines enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols organic oxides organopnictogen compounds phenoxy compounds piperidinecarboxylic acids piperidines
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alpha-amino acid or derivatives alkyl aryl ether hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound piperidinecarboxylic acid piperidine organoheterocyclic compound alkanolamine enoate ester secondary aliphatic amine azacycle tetracarboxylic acid or derivatives hydroxy acid secondary amine methoxybenzene hydroxycinnamic acid fatty acid ester organic oxygen compound anisole carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound amine

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