input word = C00034442

Metabolite InformationStructural formula
Name Aurasperone E
Formula C32H28O11
Mw 588.16316174
CAS RN 71722-01-5
C_ID C00034442 ,
InChIKey XQLGSHUQZMPBGG-UHFFFAOYNA-N
InChICode InChI=1S/C32H28O11/c1-13-7-17(33)26-29(36)23-16(10-15(38-3)11-20(23)40-5)24(31(26)42-13)27-19(39-4)8-14-9-21-25(18(34)12-32(2,37)43-21)28(35)22(14)30(27)41-6/h7-11,35-37H,12H2,1-6H3/t32-/m0/s1
SMILES c12c(cc3c(c1O)c(c(c(c3)OC)c1c3c(c(c4c1cc(cc4OC)OC)O)c(=O)cc(o3)C)OC)O[C@](CC2=O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
FungiTrichocomaceaeAspergillus tubingensis Ref.
zoom in