input word = C00000866

Metabolite InformationStructural formula
Name 2,3-DehydroGA9
Formula C19H22O4
Mw 314.15180919
CAS RN
C_ID C00000866 ,
InChIKey NJHXRWOUQCGQAV-BLJOXUOYNA-N
InChICode InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES C1=C[C@@]2([C@@H]3[C@@](C1)([C@H]1[C@@]4([C@H]3C(=O)O)C[C@@H](CC1)C(=C)C4)OC2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeGibberella fujikuroi Ref.
zoom in