input word = C00043799

Metabolite InformationStructural formula
Name Oxyallobetulin
(+)-Oxyallobetulin
Formula C30H48O3
Mw 456.3603454
CAS RN 24035-70-9
C_ID C00043799 ,
InChIKey BVJDDPRBYGBPKD-PLLCHXBONA-N
InChICode InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22+,23-,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=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros lotus Ref.
PlantaeEbenaceaeDiospyros montana Ref.
PlantaeEbenaceaeDiospyros morrisiana Ref.
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