DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:29 UTC
Update Date	2025-03-25 00:54:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206913
Frequency	0.5
Structure
Chemical Formula	C₂₁H₁₈O₁₁
Molecular Mass	446.0849
SMILES	O=C(O)C1OC(O)C(Oc2cccc3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C(O)C1O
InChI Key	OEASCGKDLMOHNF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	3'-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoids glucuronic acid derivatives hemiacetals heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyranones and derivatives secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid saccharide organic oxide chromone aromatic heteropolycyclic compound pyranone hemiacetal oxane organoheterocyclic compound 1,2-diol alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound 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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