input word = C00016148

Metabolite InformationStructural formula
Name AM 6222B
Stachybocin B
Formula C52H70N2O11
Mw 898.49796109
CAS RN 158827-61-3
C_ID C00016148 ,
InChIKey ZRTGPZGAMCJZNA-SMVUGSGENA-N
InChICode InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-35(55)19-28-32(41(30)64-51)24-53(44(28)60)18-10-9-11-34(46(62)63)54-25-33-29(45(54)61)20-36(56)31-22-52(65-42(31)33)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27+,34-,37-,38+,39-,40-,43+,49+,50-,51+,52+/m1/s1
SMILES CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)CN(CCCC[C@H](C(=O)O)N1Cc2c(cc(O)c4c2OC2(C4)C(C)CCC4C(C)(C)C(O)[C@H](O)CC42C)C1=O)C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Stachybotrys sp. M6222 Ref.
zoom in