input word = C00045220

Metabolite InformationStructural formula
Name alpha-Amyrin palmitate
Formula C46H80O2
Mw 664.6158318
CAS RN 22255-10-3
C_ID C00045220 ,
InChIKey BHPGRVQWTLDDQX-PTEYISSWNA-N
InChICode InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37+,38-,39+,41+,43-,44+,45-,46-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@H]([C@@H](CC1)C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeAsteraceaeBrachylaena ramiflora var. ramiflora Ref.
PlantaeSantalaceaeSantalum album Ref.
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OrganismSambucus canadensis
ReferenceInoue,Phytochem.,14,(1975),1871