DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:03 UTC
Update Date	2025-03-25 00:59:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235764
Frequency	0.5
Structure
Chemical Formula	C₂₆H₂₉NO₁₁
Molecular Mass	531.1741
SMILES	COc1cc(C=CC(=O)OC2CC(O)(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)CC(O)C2O)ccc1O
InChI Key	VWXMAMJKCKRVOP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	amaryllidaceae alkaloids
Subclass	norbelladine-type amaryllidaceae alkaloids
Direct Parent	norbelladine-type amaryllidaceae alkaloids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acids amphetamines and derivatives anisoles carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols dicarboxylic acids and derivatives enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tertiary alcohols tyrosine and derivatives
Substituents	phenol ether monocyclic benzene moiety carboxylic acid methoxyphenol alpha-amino acid or derivatives alpha,beta-unsaturated carboxylic ester organonitrogen compound alpha-amino acid n-acyl-alpha amino acid or derivatives enoate ester alcohol tyrosine or derivatives n-acyl-alpha-amino acid cyclohexanol cyclitol or derivatives methoxybenzene aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester anisole carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound fatty acyl carbonyl group ether 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organopnictogen compound amphetamine or derivatives cyclic alcohol carboxamide group hydroxycinnamic acid tertiary alcohol phenylalanine or derivatives organic oxygen compound secondary alcohol benzenoid organic nitrogen compound norbelladine skeleton organooxygen compound

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