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 [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)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros lotus Ref.
PlantaeEbenaceaeDiospyros montana Ref.
PlantaeEbenaceaeDiospyros morrisiana Ref.
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OrganismDiospyros lotus
ReferenceMallavadhani,Phytochem.,49,(1998),901