DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:44 UTC
Update Date	2025-03-25 00:49:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175569
Frequency	0.5
Structure
Chemical Formula	C₂₆H₂₆O₁₅
Molecular Mass	578.1272
SMILES	O=C(CCC(=O)Oc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O)OCOC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ICUMRGHIVPWJEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	flavanones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acid esters carboxylic acids chromones fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives vinylogous acids
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid fatty acid ester vinylogous acid carboxylic acid ester phenol hydrocarbon derivative aryl ketone fatty acyl carbonyl group ether glucuronic acid or derivatives 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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