DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:14 UTC
Update Date	2025-03-25 00:57:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227143
Frequency	0.5
Structure
Chemical Formula	C₃₅H₅₇NO₁₀
Molecular Mass	651.3982
SMILES	CC(CCC(=O)NCC(=O)O)C1CCC(C)(C)C2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C
InChI Key	DTQNIYRSSMWDTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	acetals acyl glycines alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids colensane and clerodane diterpenoids dicarboxylic acids and derivatives diterpene glycosides glucuronic acid derivatives hydrocarbon derivatives n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glucuronic acid or derivatives abietane diterpenoid fatty amide o-glucuronide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid diterpene glycoside 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid terpene glycoside hydroxy acid carboxamide group n-acyl-amine n-acylglycine 20-norclerodane diterpenoid oxacycle secondary carboxylic acid amide clerodane diterpenoid pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound diterpenoid

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