input word = C00026832

Metabolite InformationStructural formula
Name Stephacidin B
(-)-Stephacidin B
Formula C52H54N6O8
Mw 890.40031275
CAS RN 360765-75-9
C_ID C00026832 ,
InChIKey ZKJYVORSURCOMD-IQNGBCNINA-N
InChICode InChI=1S/C52H54N6O8/c1-44(2)19-15-25-29(65-44)13-11-27-33-36-50-28-12-14-30-26(16-20-45(3,4)66-30)35(28)58(64)38(50)47(7,8)31-23-48-17-9-21-54(48)42(61)51(31,53-40(48)59)39(50)56-41(60)49-18-10-22-55(49)43(62)52(36,56)32(24-49)46(5,6)37(33)57(63)34(25)27/h11-16,19-20,31-32,36,39,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31-,32-,36-,39+,48-,49-,50-,51+,52?/m0/s1
SMILES [C@@]123C(=O)N4[C@@]5([C@H](C(c6n(c7c8c(ccc7c6[C@H]5[C@@]56c7c(c9c(cc7)OC(C=C9)(C)C)N(=C5C([C@H]5[C@@]7([C@H]46)C(=O)N4CCC[C@]4(C5)C(=O)N7)(C)C)=O)OC(C=C8)(C)C)O)(C)C)C1)C(=O)N2CCC3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ochraceus WC76446 Ref.
zoom in