input word = C00040092

Metabolite InformationStructural formula
Name Pseudolaric acid A
Formula C22H28O6
Mw 388.18858863
CAS RN 82508-32-5
C_ID C00040092 ,
InChIKey GOHMRMDXUXWCDQ-TUGFKEIONA-N
InChICode InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1
SMILES C1(=O)O[C@@]([C@H]2[C@@]3([C@]1(CC=C(CC3)C)CC2)OC(=O)C)(/C=C/C=C(/C(=O)O)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudolarix amabilis Ref.
PlantaePinaceaePseudolarix kaempferi Ref.
zoom in