DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:55 UTC
Update Date	2025-03-25 00:57:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224290
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₀O₉
Molecular Mass	368.1107
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(O)CO)CC(=O)C1O
InChI Key	PXDOABYSBGYWHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	hydroxycinnamic acids and derivatives
Direct Parent	hydroxycinnamic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids benzene and substituted derivatives cyclic ketones cyclitols and derivatives enoate esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides primary alcohols secondary alcohols tertiary alcohols
Substituents	fatty acyl monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid cyclic ketone carboxylic acid derivative ketone alpha,beta-unsaturated carboxylic ester organic oxide primary alcohol enoate ester alcohol cyclitol or derivatives 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol hydroxycinnamic acid aromatic homomonocyclic compound fatty acid ester tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound

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