DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:56 UTC
Update Date	2025-03-25 00:50:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02182929
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₄O₆
Molecular Mass	314.079
SMILES	O=c1cc(-c2ccc(O)cc2)oc2cc(C(O)CO)cc(O)c12
InChI Key	KIAQASZSFXKHJP-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids aromatic alcohols benzene and substituted derivatives chromones flavonoids heteroaromatic compounds hydrocarbon derivatives organic oxides oxacyclic compounds primary alcohols pyranones and derivatives secondary alcohols vinylogous acids
Substituents	aromatic alcohol monocyclic benzene moiety 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid organic oxide chromone aromatic heteropolycyclic compound pyranone primary alcohol organoheterocyclic compound 1,2-diol alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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