DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:25 UTC
Update Date	2025-03-25 00:45:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149754
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀O₇
Molecular Mass	324.1209
SMILES	O=C(C=Cc1ccccc1)OC1CC(O)(C(O)O)CC(O)C1O
InChI Key	WWTQYMXHYMWEBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	cinnamic acids and derivatives
Direct Parent	cinnamic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	benzene and substituted derivatives carbonyl compounds carbonyl hydrates cyclitols and derivatives cyclohexanols enoate esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides tertiary alcohols
Substituents	enoate ester alcohol fatty acyl monocyclic benzene moiety carbonyl group carbonyl hydrate cyclohexanol cyclitol or derivatives cyclic alcohol carboxylic acid derivative aromatic homomonocyclic compound alpha,beta-unsaturated carboxylic ester fatty acid ester cinnamic acid or derivatives tertiary alcohol organic oxide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid organooxygen compound

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