input word = C00038265

Metabolite InformationStructural formula
Name 3-O-Dihydrocoumaroyl beta-Amyrin
Formula C39H58O3
Mw 574.43859572
CAS RN 243667-89-2
C_ID C00038265 ,
InChIKey XIVVFNWOZPZEIW-QAUKFATBNA-N
InChICode InChI=1S/C39H58O3/c1-34(2)21-22-36(5)23-24-38(7)28(29(36)25-34)14-15-31-37(6)19-18-32(35(3,4)30(37)17-20-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-10,12-14,29-32,40H,11,15-25H2,1-8H3/t29-,30-,31+,32-,36+,37-,38+,39+/m0/s1
SMILES CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCasuarinaceaeCasuarina equisetifolia Ref.
zoom in