input word = C00016623

Metabolite InformationStructural formula
Name (-)-Balanol
BalanolAzepinostatin
Balanol
Ophiocordin
Formula C28H26N2O10
Mw 550.15874507
CAS RN 63590-19-2
C_ID C00016623 ,
InChIKey XYUFCXJZFZPEJD-MSODYQBLNA-N
InChICode InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
SMILES [C@H]1(CNCCC[C@H]1OC(=O)c1cc(c(c(c1)O)C(=O)c1c(cccc1O)C(=O)O)O)NC(=O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeCordyceps ophioglossoides Ref.
FungiNectriaceaeFusarium merismoides CORDA NR6356 Ref.
FungiPlectosphaerellaceaeVerticillium balanoides Ref.
zoom in