DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:02 UTC
Update Date	2025-03-25 00:56:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219931
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₅N₂O₉P
Molecular Mass	444.1298
SMILES	Cc1cc2c(CC(N)C(=O)O)cn(C3OC(COP(=O)(O)O)C(O)C3O)c2cc1C
InChI Key	FDWPWCOINFNAAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	indole ribonucleosides and ribonucleotides
Subclass	indole ribonucleosides and ribonucleotides
Direct Parent	indole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-alkylindoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols substituted pyrroles tetrahydrofurans
Substituents	carbonyl group n-alkylindole carboxylic acid pentose phosphate indole monosaccharide pentose-5-phosphate alpha-amino acid or derivatives substituted pyrrole 1-ribofuranosylindole carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound 1,2-diol alcohol azacycle tetrahydrofuran heteroaromatic compound indole or derivatives oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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