input word = C00063988

Metabolite InformationStructural formula
Name Isophytyl salicylate
Formula C27H44O3
Mw 416.32904527
CAS RN 1642307-64-9
C_ID C00063988
InChIKey LUKMPAIXGJRTRP-UHFFFAOYSA-N
InChICode InChI=1S/C27H44O3/c1-7-21(2)13-10-14-22(3)15-11-16-23(4)17-12-20-27(5,6)30-26(29)24-18-8-9-19-25(24)28/h7-9,18-19,21-23,28H,1,10-17,20H2,2-6H3
SMILES C=CC(C)CCCC(C)CCCC(C)CCCC(C)(C)OC(=O)c1ccccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAegle marmelos Ref.
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