input word = C00027057

Metabolite InformationStructural formula
Name Celogentin B
(-)-Celogentin B
Formula C51H70N16O10
Mw 1066.54608257
CAS RN 370089-21-7
C_ID C00027057 ,
InChIKey JXRNLQXLWVJGAA-FHYXOTNTNA-N
InChICode InChI=1S/C51H70N16O10/c1-7-25(6)40-48(74)64-39(24(4)5)47(73)62-35-18-30-29-11-10-26(38(23(2)3)41(49(75)65-40)66-44(70)32-12-13-37(68)58-32)15-33(29)59-42(30)67-20-28(57-22-67)17-34(45(71)63-36(50(76)77)16-27-19-54-21-56-27)61-43(69)31(60-46(35)72)9-8-14-55-51(52)53/h10-11,15,19-25,31-32,34-36,38-41,59H,7-9,12-14,16-18H2,1-6H3,(H,54,56)(H,58,68)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,74)(H,65,75)(H,66,70)(H,76,77)(H4,52,53,55)/t25-,31+,32+,34+,35+,36+,38-,39+,40+,41+/m1/s1
SMILES c1c2cc3c(c1)c1c([nH]3)n3cc(nc3)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H]2C(C)C)NC(=O)[C@H]2NC(=O)CC2)[C@@H](CC)C)C(C)C)C1)CCCNC(=N)N)C(=O)N[C@@H](Cc1[nH]cnc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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