input word = C00016707

Metabolite InformationStructural formula
Name ES-242-3
Formula C34H36O11
Mw 620.22576199
CAS RN 136565-68-9
C_ID C00016707 ,
InChIKey UIXDBHLNQHECCU-UHFFFAOYNA-N
InChICode InChI=1S/C34H36O11/c1-14-31(36)29-21(12-43-14)32(37)25-19(8-17(39-4)10-23(25)41-6)27(29)28-20-9-18(40-5)11-24(42-7)26(20)33(38)22-13-44-15(2)34(30(22)28)45-16(3)35/h8-11,14-15,31,34,36-38H,12-13H2,1-7H3/t14-,15-,31-,34+/m0/s1
SMILES COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5OC(C)=O)c2c1)C(O)C(C)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPlectosphaerellaceaeVerticillium sp. SPC-15898 Ref.
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OrganismVerticillium sp. SPC-15898
ReferenceToki,J.Antibiotics 45,(1992),1047