input word = C00034321

Metabolite InformationStructural formula
Name Tomoeone E
(+)-Tomoeone E
Formula C31H46O6
Mw 514.3294392
CAS RN 1065480-66-1
C_ID C00034321 ,
InChIKey GSBKHIDNJGPPFQ-ZQPWMVPONA-N
InChICode InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20-,21-,22+,28-,29-,31-/m1/s1
SMILES CCC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum ascyron Ref.
zoom in