input word = C00038211

Metabolite InformationStructural formula
Name 21beta-Methoxyserrat-14-en-3-one
Formula C31H50O2
Mw 454.38108084
CAS RN 35951-54-3
C_ID C00038211 ,
InChIKey KLHCNYCAHCOQFG-UHFFFAOYNA-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+/m1/s1
SMILES C1C2=C(C[C@]3([C@H](C1)[C@@]1([C@@H](CC3)C(C(=O)CC1)(C)C)C)C)CC[C@H]1[C@@]2(CC[C@H](C1(C)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea jezoensis var. hondoensis Ref.
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