input word = C00015906

Metabolite InformationStructural formula
Name ES-242-5 atropisomer
Formula C32H34O9
Mw 562.22028269
CAS RN 229481-76-9
C_ID C00015906 ,
InChIKey WPGPKDAIJINNNL-UHFFFAOYNA-N
InChICode InChI=1S/C32H34O9/c1-14-7-18-21(12-40-14)31(34)26-19(8-16(36-3)10-23(26)38-5)25(18)28-20-9-17(37-4)11-24(39-6)27(20)32(35)22-13-41-15(2)30(33)29(22)28/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3/t14-,15-,30-/m0/s1
SMILES c12c(c(c3c(c1O)CO[C@H](C3)C)c1c3c(c(c4c1cc(cc4OC)OC)O)CO[C@H]([C@@H]3O)C)cc(cc2OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeCordyceps pseudomilitaris BCC 1620 Ref.
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