DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:58 UTC
Update Date	2025-03-21 18:05:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059712
Frequency	52.6
Structure
Chemical Formula	C₁₆H₁₂O₅
Molecular Mass	284.0685
SMILES	COc1ccc(-c2cc3c(O)cc(O)cc3oc2=O)cc1
InChI Key	PXDJPSFDPUUZJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	isoflav-3-enes
Direct Parent	isoflav-3-enones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 7-hydroxycoumarins alkyl aryl ethers anisoles coumarins and derivatives heteroaromatic compounds hydrocarbon derivatives isoflavonoids lactones methoxybenzenes organic oxides oxacyclic compounds phenoxy compounds pyranones and derivatives
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether isoflav-3-enone skeleton lactone organic oxide aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran 7-hydroxycoumarin heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid methoxybenzene coumarin oxacycle organic oxygen compound pyran anisole hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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