input word = C00047682

Metabolite InformationStructural formula
Name 6',7'-Dihydroxybergamottin octanal acetal
Formula C29H40O6
Mw 484.28248901
CAS RN 1181223-79-9
C_ID C00047682 ,
InChIKey WJIIDSSFVWOLIZ-HMMYKYKNNA-N
InChICode InChI=1S/C29H40O6/c1-5-6-7-8-9-10-27-34-25(29(3,4)35-27)13-11-20(2)15-17-32-28-21-12-14-26(30)33-24(21)19-23-22(28)16-18-31-23/h12,14-15,19,25,27H,5-11,13,16-18H2,1-4H3/b20-15+/t25-,27-/m0/s1
SMILES c12c(c(c3c(c1)OCC3)OC/C=C(/CC[C@@H]1O[C@@H](OC1(C)C)CCCCCCC)\C)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
zoom in