input word = C00059812

Metabolite InformationStructural formula
Name [S-(R*,R*)]-4,4'-[3,5-Bis(acetyloxy)-1,7-heptanediyl]bis-1,2-benzenediol, tetraacetate
Formula C31H36O12
Mw 600.22067662
CAS RN 138870-98-1
C_ID C00059812
InChIKey WBXNSRLTOOKDHI-SVBPBHIXSA-N
InChICode InChI=1S/C31H36O12/c1-18(32)38-26(11-7-24-9-13-28(40-20(3)34)30(15-24)42-22(5)36)17-27(39-19(2)33)12-8-25-10-14-29(41-21(4)35)31(16-25)43-23(6)37/h9-10,13-16,26-27H,7-8,11-12,17H2,1-6H3/t26-,27-/m0/s1
SMILES CC(=O)Oc1ccc(CCC(CC(CCc2ccc(OC(C)=O)c(OC(C)=O)c2)OC(C)=O)OC(C)=O)cc1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeZingiber officinale Ref.
zoom in