Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018067

Phytochemical name: Succinic acid, dodec-9-yn-1-yl hexyl ester

Synonymous chemical names:
Succinic acid, dodec-9-yn-1-yl hexyl ester

External chemical identifiers:
CID:CID_91702010

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Chemical structure information

SMILES:
CCCCCCOC(=O)CCC(=O)OCCCCCCCCC#CCC

InChI:
InChI=1S/C22H38O4/c1-3-5-7-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-8-6-4-2/h3-4,6,8-20H2,1-2H3

InChIKey:
RHWFIEZEQJPTFR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCOC=O)CCC=O)OCCCCCCCCC#CCC

Functional groups:
COC(C)=O, CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.403

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Chemical structure download