DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:59 UTC
Update Date	2025-03-21 18:41:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136301
Frequency	18.4
Structure
Chemical Formula	C₁₅H₂₂N₂O₁₇P₂
Molecular Mass	564.0394
SMILES	O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)C(O)C(O)C1O
InChI Key	MQVJGORZERNZNI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound pentose phosphate pyrimidone carboxylic acid derivative pyran carboxylic acid pyrimidine beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound hydroxy acid organic pyrophosphate oxacycle monocarboxylic acid or derivatives phosphoric acid ester pyran monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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