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 [C@@H]12[C@H]3[C@](CCC1(C)C)(CC[C@@]1([C@@H]3CC[C@H]3[C@]1(CC[C@@H]1[C@]3(CC[C@@H](C1(C)C)O)C)C)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros montana Ref.
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