DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:35 UTC
Update Date	2025-03-25 01:01:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252990
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₂
Molecular Mass	480.1268
SMILES	O=C(O)C1(O)CC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O
InChI Key	CXRNPTCMMXHLAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers alpha hydroxy acids and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins cyclohexanols hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides oxacyclic compounds phenol ethers quinic acids and derivatives tertiary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid 1-benzopyran flavan alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative beta-hydroxy acid organic oxide aromatic heteropolycyclic compound chromane catechin flavonoid flavan-3-ol organoheterocyclic compound hydrolyzable tannin alcohol benzopyran cyclohexanol 5-hydroxyflavonoid cyclitol or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol 3'-hydroxyflavonoid oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound quinic acid

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