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 C1(CC[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)CCc1ccc(cc1)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCasuarinaceaeCasuarina equisetifolia Ref.
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