input word = C00026798

Metabolite InformationStructural formula
Name Celogentin J
Formula C54H80N18O11
Mw 1156.62539553
CAS RN 602308-65-6
C_ID C00026798 ,
InChIKey JXUAEBMHMDKXHH-UHFFFAOYNA-N
InChICode InChI=1S/C54H80N18O11/c1-7-26(5)41-49(79)68-37-21-31-30-14-13-28(40(25(3)4)43(71-46(76)33-15-16-38(73)63-33)51(81)70-42(27(6)8-2)50(80)69-41)19-35(30)65-44(31)72-23-29(62-24-72)20-36(47(77)67-34(52(82)83)12-10-18-60-54(57)58)64-39(74)22-61-45(75)32(66-48(37)78)11-9-17-59-53(55)56/h13-14,19,23-27,32-34,36-37,40-43,65H,7-12,15-18,20-22H2,1-6H3,(H,61,75)(H,63,73)(H,64,74)(H,66,78)(H,67,77)(H,68,79)(H,69,80)(H,70,81)(H,71,76)(H,82,83)(H4,55,56,59)(H4,57,58,60)/t26-,27-,32+,33-,34-,36-,37+,40+,41+,42+,43+/m0/s1
SMILES CCC(C)C1NC(=O)C(C(C)CC)NC(=O)C(NC(=O)C2CCC(=O)N2)C(C(C)C)c2ccc3c4c([nH]c3c2)-n2cnc(c2)CC(C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(C4)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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