input word = C00038674

Metabolite InformationStructural formula
Name Cabraleadiol 3-acetate
Formula C32H54O4
Mw 502.40221021
CAS RN 35833-62-6
C_ID C00038674 ,
InChIKey MYKPKZPRXSYQEQ-DLYRJCRVNA-N
InChICode InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1
SMILES CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora dalzielii Ref.
PlantaeMeliaceaeAglaia tomentosa Ref.
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