input word = C00015230

Metabolite InformationStructural formula
Name Neosordarin
Formula C36H50O11
Mw 658.33531244
CAS RN 439665-94-8
C_ID C00015230 ,
InChIKey ZYLVYEPSNXRLDN-HMHOWHNZNA-N
InChICode InChI=1S/C36H50O11/c1-18(2)27-13-23-14-34(16-37)26-11-8-19(3)25(26)15-35(23,36(27,34)33(42)43)17-45-32-28(40)30(29(44-7)22(6)46-32)47-31(41)20(4)12-24(39)10-9-21(5)38/h9-10,12-13,16,18-19,21-23,25-26,28-30,32,38,40H,8,11,14-15,17H2,1-7H3,(H,42,43)/b10-9+,20-12-/t19-,21+,22+,23+,25-,26-,28+,29+,30-,32+,34+,35+,36+/m1/s1
SMILES CO[C@H]1C(C)O[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)C(O)[C@H]1OC(=O)/C(C)=CC(=O)/C=C/C(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSordariaceaeSordaria araneosa Ref.
zoom in