input word = C00038210

Metabolite InformationStructural formula
Name 21alpha-Methoxyserrat-13-en-3-one
Formula C31H50O2
Mw 454.38108084
CAS RN 155601-47-1
C_ID C00038210 ,
InChIKey KLHCNYCAHCOQFG-OKIWJPCENA-N
InChICode InChI=1S/C31H50O2/c1-27(2)23-13-16-29(5)19-20-9-11-22-28(3,4)26(33-8)15-18-30(22,6)21(20)10-12-24(29)31(23,7)17-14-25(27)32/h22-24,26H,9-19H2,1-8H3/t22-,23-,24-,26-,29-,30+,31-/m0/s1
SMILES CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea jezoensis var. hondoensis Ref.
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