DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:22 UTC
Update Date	2025-03-25 00:46:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154375
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₅NO₉
Molecular Mass	365.0747
SMILES	COc1cc(C=CC(=O)OC2C(=O)NC(C(=O)O)C2C(=O)O)ccc1O
InChI Key	ZIEDFUUUMGNQHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids lactams methoxybenzenes methoxyphenols organic oxides organonitrogen compounds organopnictogen compounds oxoprolines phenoxy compounds pyrrolidine carboxylic acids pyrrolidine-2-ones secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl 2-pyrrolidone phenol ether monocyclic benzene moiety carbonyl group ether lactam carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid methoxyphenol tricarboxylic acid or derivatives alkyl aryl ether hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound enoate ester proline or derivatives oxoproline azacycle carboxamide group methoxybenzene hydroxycinnamic acid secondary carboxylic acid amide fatty acid ester pyrrolidine carboxylic acid or derivatives organic oxygen compound anisole carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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