DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:55 UTC
Update Date	2025-03-25 00:53:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203331
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₂O₁₁
Molecular Mass	450.1162
SMILES	O=C(O)C1OC(c2ccc(O)c3c2CC(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O
InChI Key	OLWLGRPDRBYQJL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	8-hydroxyflavonoids
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 alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acids dialkyl ethers flavan-3-ols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	8-hydroxyflavonoid monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid dialkyl ether beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound chromane oxane flavan-3-ol organoheterocyclic compound c-glucuronide alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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