DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:26 UTC
Update Date	2025-03-25 00:46:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154544
Frequency	0.5
Structure
Chemical Formula	C₃₁H₃₂O₁₃
Molecular Mass	612.1843
SMILES	COc1ccc(C2CC(=O)c3cc(C4Oc5cc(OC6OC(C)C(O)C(O)C6O)cc(O)c5CC4O)cc(O)c3O2)cc1O
InChI Key	LRLFSCBDEZHZNC-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 3-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids 8-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones catechins chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyranoflavonoids secondary alcohols
Substituents	8-hydroxyflavonoid phenol ether monocyclic benzene moiety 3-hydroxyflavonoid ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether ketone saccharide organic oxide pyranoflavonoid acetal chromone aromatic heteropolycyclic compound chromane catechin oxane flavan-3-ol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3'-hydroxyflavonoid oxacycle organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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