input word = C00028420

Metabolite InformationStructural formula
Name Jervinone
Formula C27H37NO3
Mw 423.27734405
CAS RN 469-60-3
C_ID C00028420 ,
InChIKey KLTPAUQDYRELPI-ZLFOMGLKNA-N
InChICode InChI=1S/C27H37NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h12,14,16,19-21,23-24,28H,5-11,13H2,1-4H3/t14-,16+,19-,20-,21+,23+,24-,26-,27-/m0/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2C(=C([C@]3(CC2)O[C@H]2[C@H]([C@H]3C)NC[C@H](C2)C)C)C1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum album Ref.
zoom in