Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004766

Phytochemical name: 8-Hydroxy-14,16-hentriacontanedione

Synonymous chemical names:
8-hydroxy-14,16-hentriacontanedione

External chemical identifiers:
CID:CID_71352769

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC(CCCCCCC)O

InChI:
InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-26-30(33)28-31(34)27-23-19-22-25-29(32)24-20-17-8-6-4-2/h29,32H,3-28H2,1-2H3

InChIKey:
RQAJGXOXTHUITK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)CC=O)CCCCCCCCCCCCC)))))))O

Functional groups:
CO, CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Oxygenated hydrocarbons

NP-Likeness score: 0.71

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Chemical structure download