input word = C00016706

Metabolite InformationStructural formula
Name ES-242-2
Formula C36H38O12
Mw 662.23632668
CAS RN 136565-67-8
C_ID C00016706 ,
InChIKey PEDZYCDSAWVMRN-UHFFFAOYNA-N
InChICode InChI=1S/C36H38O12/c1-15-35(47-17(3)37)31-23(13-45-15)33(39)27-21(9-19(41-5)11-25(27)43-7)29(31)30-22-10-20(42-6)12-26(44-8)28(22)34(40)24-14-46-16(2)36(32(24)30)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3/t15-,16+,35-,36+
SMILES COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5OC(C)=O)c2c1)C(OC(C)=O)C(C)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPlectosphaerellaceaeVerticillium sp. SPC-15898 Ref.
zoom in