DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:31 UTC
Update Date	2025-03-21 18:38:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123523
Frequency	20.9
Structure
Chemical Formula	C₂₂H₂₁O₁₂+
Molecular Mass	477.1028
SMILES	O=C(O)C1C(O)C(O)C(O)C(O)C1Oc1cc2c(O)cc(O)cc2[o+]c1-c1ccc(O)c(O)c1
InChI Key	UVFFXJVXZRHKGQ-UHFFFAOYSA-O
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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anthocyanidins benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides oxacyclic compounds
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 aromatic heteropolycyclic compound anthocyanidin organic cation organoheterocyclic compound alcohol benzopyran heteroaromatic compound cyclohexanol 5-hydroxyflavonoid cyclitol or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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