input word = C00035221

Metabolite InformationStructural formula
Name 3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Formula C32H52O5
Mw 516.38147477
CAS RN 340026-79-1
C_ID C00035221 ,
InChIKey MTHXIZRKFSBBNW-JTMBWKDINA-N
InChICode InChI=1S/C32H52O5/c1-18-10-13-28(6)16-17-31(9)30(8)15-11-21-27(4,5)22(35-20(3)33)12-14-29(21,7)25(30)23(37-34)26-32(31,36-26)24(28)19(18)2/h18-19,21-26,34H,10-17H2,1-9H3/t18-,19+,21-,22+,23+,24-,25-,26-,28-,29+,30-,31+,32-/m1/s1
SMILES C1([C@H](CC[C@]2([C@@H]1CC[C@@]1([C@@H]2[C@@H]([C@@H]2[C@]3([C@]1(CC[C@@]1([C@H]3[C@H]([C@@H](CC1)C)C)C)C)O2)OO)C)C)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa Ref.
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