input word = C00057114

Metabolite InformationStructural formula
Name Panaxydol linoleate
Formula C35H54O3
Mw 522.40729559
CAS RN 155551-19-2
C_ID C00057114
InChIKey MGQITZGZKLABCX-IAPQCEDXSA-N
InChICode InChI=1S/C35H54O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h6,12-13,15-16,32-34H,3-5,7-11,14,17-22,25,27,29-31H2,1-2H3/b13-12-,16-15-/t32-,33+,34-/m1/s1
SMILES CCCCCCC[C@H](O1)[C@H]1CC#CC#C[C@H](OC(CCCCCCC/C=CC/C=CCCCCC)=O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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OrganismPanax ginseng
ReferencePoplawski, J. et al., Phytochemistry, 1980, 19, 1539-1541 (isol, struct, synth)