input word = C00045538

Metabolite InformationStructural formula
Name 21beta-Hydroxyserrat-14-en-3-one
Formula C30H48O2
Mw 440.36543078
CAS RN 362027-92-7
C_ID C00045538 ,
InChIKey XDHBNKYGNARLOT-IVNWMUNZNA-N
InChICode InChI=1S/C30H48O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-24,31H,9-18H2,1-7H3/t20-,21-,22-,23-,24-,28-,29+,30-/m0/s1
SMILES CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(O)CC[C@]4(C)[C@H]3CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea jezoensis var.jezoensis Ref.
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