input word = C00049280

Metabolite InformationStructural formula
Name Pseudolaric acid C
Formula C21H26O7
Mw 390.16785319
CAS RN 82601-41-0
C_ID C00049280 ,
InChIKey RBXVTEUAOTYIME-SWJFDEDYNA-N
InChICode InChI=1S/C21H26O7/c1-13(16(22)23)5-4-9-19(2)15-8-11-20(18(25)28-19)10-6-14(17(24)27-3)7-12-21(15,20)26/h4-6,9,15,26H,7-8,10-12H2,1-3H3,(H,22,23)/b9-4+,13-5+/t15-,19-,20+,21-/m0/s1
SMILES [C@]123[C@](CCC(=CC1)C(=O)OC)([C@H]([C@@](OC2=O)(/C=C/C=C(/C(=O)O)\C)C)CC3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudolarix amabilis Ref.
zoom in