DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:57:26 UTC
Update Date	2025-03-21 18:05:17 UTC
HMDB ID	HMDB0126582
Metabolite Identification
DeepMet ID	DMID00056080
Name	[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
Frequency	56.9
Structure
Chemical Formula	C₁₆H₁₄O₁₀S
Molecular Mass	398.0308
SMILES	COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2OS(=O)(=O)O)ccc1O
InChI Key	GCNQYPNOJDMDMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	sulfated flavonoids
Direct Parent	3-sulfated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers alkyl sulfates anisoles aryl alkyl ketones chromones flavanonols hydrocarbon derivatives methoxybenzenes methoxyphenols organic oxides oxacyclic compounds phenoxy compounds sulfuric acid monoesters vinylogous acids
Substituents	phenol ether monocyclic benzene moiety sulfuric acid monoester ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether ketone organic oxide chromone aromatic heteropolycyclic compound alkyl sulfate chromane organoheterocyclic compound benzopyran organic sulfuric acid or derivatives 3-sulfated flavonoid 5-hydroxyflavonoid flavanonol 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle vinylogous acid organic oxygen compound anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid sulfate-ester phenol hydrocarbon derivative benzenoid phenoxy compound sulfuric acid ester organooxygen compound aryl ketone

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