input word = C00029921

Metabolite InformationStructural formula
Name Cerin
Formula C30H50O2
Mw 442.38108084
CAS RN 468-67-7
C_ID C00029921 ,
InChIKey DSEKYWAQQVUQTP-LQJUQBFONA-N
InChICode InChI=1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-23,31H,9-18H2,1-8H3/t19-,20+,21-,22-,23+,26+,27-,28+,29+,30-/m0/s1
SMILES C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeEndodesmia calophylloides Ref.
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