input word = C00043263

Metabolite InformationStructural formula
Name Allobetulin
Formula C30H50O2
Mw 442.38108084
CAS RN 1617-72-7
C_ID C00043263 ,
InChIKey BZNIIOGSANMIET-BHBYVYKPNA-N
InChICode InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19-,20+,21-,22+,23+,24-,27-,28-,29-,30-/m1/s1
SMILES CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros montana Ref.
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