input word = C00027058

Metabolite InformationStructural formula
Name Celogentin C
(-)-Celogentin C
Formula C50H70N14O10
Mw 1026.53993456
CAS RN 370089-23-9
C_ID C00027058 ,
InChIKey CIRJMOANGGDLKD-QTLOKWCSNA-N
InChICode InChI=1S/C50H70N14O10/c1-7-25(6)39-46(70)60-38(24(4)5)45(69)58-33-20-29-28-13-12-26(37(23(2)3)40(47(71)61-39)62-43(67)31-14-15-36(65)55-31)18-32(28)56-41(29)63-21-27(54-22-63)19-34(49(73)74)59-42(66)30(10-8-16-53-50(51)52)57-44(68)35-11-9-17-64(35)48(33)72/h12-13,18,21-25,30-31,33-35,37-40,56H,7-11,14-17,19-20H2,1-6H3,(H,55,65)(H,57,68)(H,58,69)(H,59,66)(H,60,70)(H,61,71)(H,62,67)(H,73,74)(H4,51,52,53)/t25-,30+,31+,33+,34+,35+,37-,38+,39+,40+/m1/s1
SMILES c1c2cc3c(c1)c1c([nH]3)n3cc(nc3)C[C@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=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)CCC3)CCCNC(=N)N)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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