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 c12c(c(c3c(c1O)CO[C@@H]([C@H]3OC(=O)C)C)c1c3c(c(c4c1[C@H]([C@@H](OC4)C)OC(=O)C)O)c(cc(c3)OC)OC)cc(cc2OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPlectosphaerellaceaeVerticillium sp. SPC-15898 Ref.
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