DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:06 UTC
Update Date	2025-03-25 00:56:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217749
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₂O₁₁
Molecular Mass	522.1162
SMILES	O=C(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(-c4ccc(O)c(O)c4)oc3c2)CC(O)C1O
InChI Key	CVPOGPWFPUBEOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoid-7-o-glycosides flavonoids heteroaromatic compounds hydrocarbon derivatives isoflavones isoflavonoid o-glycosides monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyranones and derivatives secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid isoflavonoid-7-o-glycoside monosaccharide carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound isoflavonoid pyranone oxane organoheterocyclic compound 1,2-diol isoflavone flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound isoflavonoid o-glycoside isoflavonoid skeleton hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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