DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:56 UTC
Update Date	2025-03-25 00:47:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160059
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₃NO₈
Molecular Mass	335.0641
SMILES	O=[N+]([O-])c1c(O)cc(O)c2c1CC(O)C(c1ccc(O)c(O)c1)O2
InChI Key	DKBNZAXASJUVQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	8-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 6-hydroxyflavonoids alkyl aryl ethers benzene and substituted derivatives flavan-3-ols hydrocarbon derivatives nitroaromatic compounds organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds oxacyclic compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	8-hydroxyflavonoid monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran flavan allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound c-nitro compound organonitrogen compound organopnictogen compound chromane organic oxoazanium flavan-3-ol organoheterocyclic compound nitroaromatic compound alcohol benzopyran 6-hydroxyflavonoid organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

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