input word = C00045332

Metabolite InformationStructural formula
Name Kairatenyl palmitate
(+)-Kairatenyl palmitate
Formula C46H80O2
Mw 664.6158318
CAS RN 455253-27-7
C_ID C00045332 ,
InChIKey LFBNQDYKXBDQSB-HICLRGSVNA-N
InChICode InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-40(47)48-39-29-31-43(6)37(42(39,4)5)28-32-46(9)38(43)27-26-36-35-24-23-30-41(2,3)44(35,7)33-34-45(36,46)8/h26,35,37-39H,10-25,27-34H2,1-9H3/t35-,37-,38+,39-,43-,44-,45+,46+/m0/s1
SMILES C1CC([C@@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachylaena ramiflora var. ramiflora Ref.
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OrganismBrachylaena ramiflora var. ramiflora
ReferencePrakash,J.Nat.Prod.,65,(2002),1222