DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:58:19 UTC
Update Date	2025-03-25 00:31:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02058090
Frequency	0.6
Structure
Chemical Formula	C₁₇H₂₉N₅O₂₉P₆
Molecular Mass	952.9374
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2(O)C(=O)O)C(O)C1O
InChI Key	HYNBDXWPNDVSJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclohexanols heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives quinic acids and derivatives tertiary alcohols tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound hydrolyzable tannin alcohol azacycle heteroaromatic compound cyclohexanol cyclitol or derivatives organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine quinic acid carbonyl group pentose phosphate amino acid alpha-hydroxy acid inositol phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid cyclic alcohol oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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