DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:53 UTC
Update Date	2025-03-25 00:53:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201040
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₅NO₇
Molecular Mass	357.0849
SMILES	COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1NC(C)=O
InChI Key	XZOBOSQICCCKJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavones
Direct Parent	flavonols
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetamides acetanilides alkyl aryl ethers anisoles carbonyl compounds carboxylic acids and derivatives chromones flavonoids heteroaromatic compounds hydrocarbon derivatives methoxybenzenes n-acetylarylamines organic oxides organopnictogen compounds oxacyclic compounds phenoxy compounds pyranones and derivatives secondary carboxylic acid amides vinylogous acids
Substituents	3-hydroxyflavone phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether n-acetylarylamine 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid n-arylamide alkyl aryl ether carboxylic acid derivative organic oxide chromone aromatic heteropolycyclic compound organonitrogen compound pyranone organopnictogen compound organoheterocyclic compound acetamide benzopyran acetanilide heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid carboxamide group methoxybenzene 3p-methoxyflavonoid-skeleton anilide oxacycle secondary carboxylic acid amide vinylogous acid organic oxygen compound pyran anisole 7-hydroxyflavonoid hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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