DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:41:31 UTC
Update Date	2025-03-21 17:59:05 UTC
HMDB ID	HMDB0029544
Metabolite Identification
DeepMet ID	DMID00018683
Name	Miscanthoside
Frequency	220.9
Structure
Chemical Formula	C₂₁H₂₂O₁₁
Molecular Mass	450.1162
SMILES	O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21
InChI Key	RAFHNDRXYHOLSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives chromones flavanones hydrocarbon derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers primary alcohols secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane primary alcohol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

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