Summary

IMPPAT Phytochemical identifier: IMPHY000570

Phytochemical name: Aleuritic acid

Synonymous chemical names:
aleurilic acid

External chemical identifiers:
CID:10790, SureChEMBL:SCHEMBL284714, MolPort-006-111-666

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Chemical structure information

SMILES:
OCCCCCCC(C(CCCCCCCC(=O)O)O)O

InChI:
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)

InChIKey:
MEHUJCGAYMDLEL-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCC=O)O)))))))))O))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.983

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Chemical structure download