DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:39 UTC
Update Date	2025-03-25 00:56:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219034
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₄O₁₆
Molecular Mass	638.1847
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC1OC(COC2CC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key	NOYSNYJCMCVBRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-o-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones cyclitols and derivatives cyclohexanols dialkyl ethers flavanones hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone monosaccharide dialkyl ether ketone beta-hydroxy acid saccharide acetal chromone flavonoid-3p-o-glycoside oxane organoheterocyclic compound alcohol benzopyran cyclohexanol 5-hydroxyflavonoid cyclitol or derivatives methoxybenzene vinylogous acid anisole 7-hydroxyflavonoid 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol flavonoid o-glycoside oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol benzenoid organooxygen compound

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