input word = C00026794

Metabolite InformationStructural formula
Name Celogentin E
Formula C51H71N15O13
Mw 1101.53557747
CAS RN 602308-61-2
C_ID C00026794 ,
InChIKey KFGFIFOXJSPNCK-UHFFFAOYNA-N
InChICode InChI=1S/C51H71N15O13/c1-7-24(6)40-48(76)63-39(23(4)5)47(75)61-33-17-28-27-11-10-25(38(22(2)3)41(49(77)64-40)65-44(72)30-12-13-35(67)57-30)15-31(27)59-42(28)66-20-26(56-21-66)16-32(45(73)62-34(50(78)79)18-37(69)70)58-36(68)19-55-43(71)29(60-46(33)74)9-8-14-54-51(52)53/h10-11,15,20-24,29-30,32-34,38-41,59H,7-9,12-14,16-19H2,1-6H3,(H,55,71)(H,57,67)(H,58,68)(H,60,74)(H,61,75)(H,62,73)(H,63,76)(H,64,77)(H,65,72)(H,69,70)(H,78,79)(H4,52,53,54)/t24-,29-,30+,32+,33-,34+,38-,39+,40+,41+/m0/s1
SMILES c12ccc3c(c1)[nH]c1c3C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](Cc3cn1cn3)C(=O)N[C@@H](C(=O)O)CC(=O)O)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]([C@H]2C(C)C)NC(=O)[C@H]1CCC(=O)N1)[C@@H](C)CC)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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OrganismCelosia argentea
ReferenceSuzuki,Tetrahedron,59,(2003),5307