DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:52 UTC
Update Date	2025-03-21 18:05:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057096
Frequency	55.6
Structure
Chemical Formula	C₂₂H₂₀O₁₃
Molecular Mass	492.0904
SMILES	O=C(O)C1C(O)C(O)C(O)C(O)C1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
InChI Key	HQCCWJVIZLBDGK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	5-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones cyclitols and derivatives cyclohexanols flavonoids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides oxacyclic compounds pyranones and derivatives vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative beta-hydroxy acid organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound alcohol benzopyran heteroaromatic compound cyclohexanol 5-hydroxyflavonoid cyclitol or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol 3'-hydroxyflavonoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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